Geometry & MOs

Info

ID:	162646
PubChem CID:	57410903
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	4.04
IP(EA), eV:	-8.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(heptylamino)-5,8-dimethoxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCNC1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

DOS

IR

Vibrations