Geometry & MOs

Info

ID:	155974
PubChem CID:	56368552
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-26.41
Dipole, Da:	3.75
IP(EA), eV:	-9.1(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=N1)CNC(=O)N(C)CC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations