Geometry & MOs

Info

ID:	178818
PubChem CID:	76385840
Reduced:	FON2C22H29 (1)
Stoich.:	ABC2D22E29 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-91.06
Dipole, Da:	4.96
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-3-nitro-1,2,3,4,4a,6a,7,7a,8,9,10,11,11a,12a-tetradecahydroindolo[1,2-a]quinoxalin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3CCCCC3N4C5CCC(CC5CC4C2=O)F

DOS

IR

Vibrations