Geometry & MOs

Info

ID:	122363
PubChem CID:	50803905
Reduced:	ClFN2O2C20H20 (1)
Stoich.:	ABC2D2E20F20 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	5.24
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3F)Cl

DOS

IR

Vibrations