Geometry & MOs

Info

ID:	152036
PubChem CID:	56310885
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	3.88
IP(EA), eV:	-7.98(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

DOS

IR

Vibrations