Geometry & MOs

Info

ID:	152158
PubChem CID:	56311026
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	1.53
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations