Geometry & MOs

Info

ID:	153238
PubChem CID:	56312401
Reduced:	O2N8C25H32 (1)
Stoich.:	A2B8C25D32 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	10.59
Dipole, Da:	0.83
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

DOS

IR

Vibrations