Geometry & MOs

Info

ID:	439143
PubChem CID:	135228908
Reduced:	N4O4C31H38 (1)
Stoich.:	A4B4C31D38 (1)
Weight, g/mol:	430.262028
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	9.35
IP(EA), eV:	-8.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-ethylidene-2-methyl-1-[2-nitroso-2-[4-(2-phenylmethoxyethylidene)cyclohexyl]ethyl]-1H-isoindole

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)(C)C

DOS

IR

Vibrations