Geometry & MOs

Info

ID:	381529
PubChem CID:	134972292
Reduced:	NOH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	21.55
Dipole, Da:	2.3
IP(EA), eV:	-8.16(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-3-(2-methoxyanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4

DOS

IR

Vibrations