Geometry & MOs

Info

ID:	381479
PubChem CID:	134972233
Reduced:	O2C27H44 (1)
Stoich.:	A2B27C44 (1)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	4.18
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-3-(2-methylanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)C#CC(C)(C)O)OC

DOS

IR

Vibrations