Geometry & MOs

Info

ID:	121993
PubChem CID:	50789080
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	6.25
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCCC(C1)C2=CC(=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations