Geometry & MOs

Info

ID:	245374
PubChem CID:	99444036
Reduced:	OF3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	4.21
IP(EA), eV:	-9.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N(C3CC3)[C@H](C)C4=CC(=CC=C4)C(F)(F)F)N=N1

DOS

IR

Vibrations