Geometry & MOs

Info

ID:	321712
PubChem CID:	126666843
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	360.082702
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	1.36
IP(EA), eV:	-8.78(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-2-cyanoprop-1-enyl]-(methylideneamino)amino]-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC1(CC(=CC=C1)O)OCC

DOS

IR

Vibrations