Geometry & MOs

Info

ID:	152827
PubChem CID:	56311903
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	5.36
IP(EA), eV:	-8.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations