Geometry & MOs

Info

ID:	270877
PubChem CID:	103638501
Reduced:	ClN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	195.046633
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	4.09
IP(EA), eV:	-9.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)C1=CC=C(O1)Cl

DOS

IR

Vibrations