Geometry & MOs

Info

ID:	152462
PubChem CID:	56311394
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	3.34
IP(EA), eV:	-8.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations