Geometry & MOs

Info

ID:

214830

PubChem CID:

85083714

Reduced:

PN2O7C32H63 (1)

Stoich.:

AB2C7D32E63 (1)

Weight, g/mol:

618.46481

ΔHf, kcal/mol:

-454.31

Dipole, Da:

11.99

IP(EA), eV:

 -9.64(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-formyl-1-methoxypent-3-enoxy]-2-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]cyclobutene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)OCC1C2CCC(C1COP(=O)([O-])OCC[N+](C)(C)C)O2

DOS

IR

Vibrations