Geometry & MOs

Info

ID:	328182
PubChem CID:	126693733
Reduced:	N2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	177.090212
ΔH_f, kcal/mol:	35.67
Dipole, Da:	3.34
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-1-ethenyl-3-methyl-6-prop-2-enylidene-2H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CCC1=NC=CC2=C1C=CC(=N2)C

DOS

IR

Vibrations