Geometry & MOs

Info

ID:	270483
PubChem CID:	103636764
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	209.062283
ΔH_f, kcal/mol:	0.39
Dipole, Da:	4.49
IP(EA), eV:	-10.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropan-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=C(N=CC=C2)Cl

DOS

IR

Vibrations