Geometry & MOs

Info

ID:	218264
PubChem CID:	85089104
Reduced:	NSO5C24H29 (1)
Stoich.:	ABC5D24E29 (1)
Weight, g/mol:	443.267173
ΔH_f, kcal/mol:	-153.91
Dipole, Da:	1.37
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(N-heptoxy-C-hexylcarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCCCC2=C(OC(=N2)C3=CC=CS3)C)C(=O)OCC

DOS

IR

Vibrations