Geometry & MOs

Info

ID:	267350
PubChem CID:	103581947
Reduced:	OSN4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	8.35
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-methylphenyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC1=CN=NS1

DOS

IR

Vibrations