Geometry & MOs

Info

ID:	62341
PubChem CID:	26719345
Reduced:	N3O5H17C23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	6.63
IP(EA), eV:	-9.18(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations