Geometry & MOs

Info

ID:	25693
PubChem CID:	629324
Reduced:	N3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	320.141245
ΔH_f, kcal/mol:	84.48
Dipole, Da:	2.11
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3

DOS

IR

Vibrations