Geometry & MOs

Info

ID:	76299
PubChem CID:	48424752
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	-84.3
Dipole, Da:	6.04
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations