Geometry & MOs

Info

ID:	58385
PubChem CID:	24698119
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	2.74
IP(EA), eV:	-9.59(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazine-1-carbonyl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CCCN

DOS

IR

Vibrations