Geometry & MOs

Info

ID:

221690

PubChem CID:

85285977

Reduced:

BrNO2C34H60 (1)

Stoich.:

ABC2D34E60 (1)

Weight, g/mol:

594.410437

ΔHf, kcal/mol:

-104.67

Dipole, Da:

69.71

IP(EA), eV:

 -4.58(-2.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[3-[9-(methoxymethylidene)-6-methyl-3-(2-methyloctan-2-yl)-1-prop-2-enoxy-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-6-yl]prop-2-ynoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1CCCCC1OC(=O)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations