Geometry & MOs

Info

ID:	355658
PubChem CID:	127289416
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	38.55
Dipole, Da:	8.0
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations