Geometry & MOs

Info

ID:	153344
PubChem CID:	56312527
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	0.6
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-(3-phenylbutyl)-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations