Geometry & MOs

Info

ID:	64917
PubChem CID:	29204197
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	4.03
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CN=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations