Geometry & MOs

Info

ID:	360453
PubChem CID:	127301098
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	373.227789
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	1.36
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCC3=C(C2)C=CC=C3NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations