Geometry & MOs

Info

ID:	74551
PubChem CID:	48422074
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-73.59
Dipole, Da:	2.77
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations