Geometry & MOs

Info

ID:	196368
PubChem CID:	78815795
Reduced:	O2F3N3C22H30 (1)
Stoich.:	A2B3C3D22E30 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-256.15
Dipole, Da:	5.03
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitro-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)N2CCCC3C2CCCC3

DOS

IR

Vibrations