Geometry & MOs

Info

ID:	129641
PubChem CID:	51073430
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	2.61
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations