Geometry & MOs

Info

ID:	174633
PubChem CID:	75798597
Reduced:	O2N6C19H23 (1)
Stoich.:	A2B6C19D23 (1)
Weight, g/mol:	327.145715
ΔH_f, kcal/mol:	23.97
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.283987
Charge, e:	1

Chem-info

IUPAC name:

6-(2-methoxy-5-methylphenyl)imino-2,4-bis(prop-2-enyl)-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=NC2=CC=CC(=C2)CN3C=CC=N3)N=[N+](C1=O)C(C)C

DOS

IR

Vibrations