Geometry & MOs

Info

ID:	152331
PubChem CID:	56311245
Reduced:	O3N4C26H40 (1)
Stoich.:	A3B4C26D40 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-132.21
Dipole, Da:	3.18
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N-methylanilino)propyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3(CCCCC3)N4CCOCC4

DOS

IR

Vibrations