Geometry & MOs

Info

ID:	39745
PubChem CID:	8142124
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C

DOS

IR

Vibrations