Geometry & MOs

Info

ID:	155174
PubChem CID:	56320917
Reduced:	INO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	409.107183
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	5.48
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC(=C(C=C2I)OC)OC

DOS

IR

Vibrations