Geometry & MOs

Info

ID:	393918
PubChem CID:	135021957
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	33.6
Dipole, Da:	11.06
IP(EA), eV:	-9.11(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-isocyano-(1-methylpyrrolidin-2-ylidene)methyl]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-nitroindole

Drug info:

PubChemData

Smile

CC1=CC2=C(N1CC3=CC=C(C=C3)OC)C=CC(=C2CC#N)[N+](=O)[O-]

DOS

IR

Vibrations