Geometry & MOs

Info

ID:	30114
PubChem CID:	840003
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	9.33
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(CCCC2=O)N(C1=O)C3=CC=CC=C3

DOS

IR

Vibrations