Geometry & MOs

Info

ID:	76902
PubChem CID:	48425551
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-167.04
Dipole, Da:	3.04
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=C(C=C1)OC2CCCC2)OC

DOS

IR

Vibrations