Geometry & MOs

Info

ID:

168988

PubChem CID:

75050852

Reduced:

N9O12C50H55 (1)

Stoich.:

A9B12C50D55 (1)

Weight, g/mol:

408.23006

ΔHf, kcal/mol:

-350.99

Dipole, Da:

4.76

IP(EA), eV:

 -8.57(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] 2,4-dihydroxybenzoate

Drug info:

PubChemData

Smile

CN1CCC23C4C(CCC2(C1CC5=C3C(=CC(=C5)O)O4)O)NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOC6=CC=CC(=C6)NC(=O)NC7C(=O)N(C8=CC=CC=C8C(=N7)C9=CC=CC=C9)C

DOS

IR

Vibrations