Geometry & MOs

Info

ID:	55562
PubChem CID:	17395552
Reduced:	ON2S2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	4.91
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CSC1=NC(=CS1)C

DOS

IR

Vibrations