Geometry & MOs

Info

ID:	176784
PubChem CID:	76098940
Reduced:	O3N6C25H43 (1)
Stoich.:	A3B6C25D43 (1)
Weight, g/mol:	510.299476
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	4.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867657
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(1-benzoylpiperidin-4-yl)-2-methylpiperazin-1-yl]ethyl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CCCCCCCCCCC(=O)NCCN3CCCCC3)C

DOS

IR

Vibrations