Geometry & MOs

Info

ID:	152244
PubChem CID:	56311135
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	5.13
IP(EA), eV:	-8.58(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations