Geometry & MOs

Info

ID:	155972
PubChem CID:	56368546
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	8.59
Dipole, Da:	2.65
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

DOS

IR

Vibrations