Geometry & MOs

Info

ID:	348471
PubChem CID:	127273582
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	2.66
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)NC2=C(N=C(C=C2)OC)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations