Geometry & MOs

Info

ID:	176373
PubChem CID:	76039344
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	425.147452
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	4.34
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,7,8-tetramethoxy-3-(2-nitroethenyl)-2-phenylmethoxynaphthalene

Drug info:

PubChemData

Smile

CC1=C(C=CS1)C2C=NC(=O)C=C2C(=O)O

DOS

IR

Vibrations