Geometry & MOs

Info

ID:	156285
PubChem CID:	56369977
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	461.126394
ΔH_f, kcal/mol:	-136.35
Dipole, Da:	8.34
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations