Geometry & MOs

Info

ID:	62973
PubChem CID:	26737859
Reduced:	OCl2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	425.132861
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	5.56
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=N3)Cl)Cl)C

DOS

IR

Vibrations