Geometry & MOs

Info

ID:	28464
PubChem CID:	827750
Reduced:	NO4H11C19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	345.100108
ΔH_f, kcal/mol:	11.53
Dipole, Da:	9.28
IP(EA), eV:	-9.27(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(2,3-dimethylnaphthalen-1-yl)-nitromethylidene]-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C(=C/3\C4=CC=CC=C4C(=O)O3)/[N+](=O)[O-]

DOS

IR

Vibrations