Geometry & MOs

Info

ID:	141301
PubChem CID:	52856514
Reduced:	NOC8H8 (3)
Stoich.:	ABC8D8 (3)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	43.19
Dipole, Da:	11.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788941
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2-phenylphenyl)methyl]amino]-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=CC=C1C2=CC=CC=C2)CC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations