Geometry & MOs

Info

ID:	145815
PubChem CID:	53598237
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	7.78
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)OC)NC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations