Geometry & MOs

Info

ID:	25229
PubChem CID:	621104
Reduced:	FO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	456.273656
ΔH_f, kcal/mol:	-228.76
Dipole, Da:	3.45
IP(EA), eV:	-9.08(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-ethyl-4b,7,10a-trimethyl-2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthren-1-ylidene)amino]-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CC(C4=C3CCC(C4)F)CO)C

DOS

IR

Vibrations