Geometry & MOs

Info

ID:	193469
PubChem CID:	78398831
Reduced:	NO2H6C7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	408.11956
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	10.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.342187
Charge, e:	-1

Chem-info

IUPAC name:

1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC3=C2C4=C(O3)CCCC4)[N+](=O)[O-])[O-]

DOS

IR

Vibrations