Geometry & MOs

Info

ID:	156882
PubChem CID:	56394827
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	489.165703
ΔH_f, kcal/mol:	36.92
Dipole, Da:	1.86
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)CCC4=CC=NC=C4

DOS

IR

Vibrations