Geometry & MOs

Info

ID:	30777
PubChem CID:	841859
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	303.036374
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	1.47
IP(EA), eV:	-9.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-methylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations