Geometry & MOs

Info

ID:	156910
PubChem CID:	56394859
Reduced:	N5O5C21H23 (1)
Stoich.:	A5B5C21D23 (1)
Weight, g/mol:	411.154269
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	7.28
IP(EA), eV:	-8.6(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(carbamoylamino)phenyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)NC)[N+](=O)[O-]

DOS

IR

Vibrations