Geometry & MOs

Info

ID:	8902
PubChem CID:	83416
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	7.69
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-7-nitro-3H-1-benzofuran

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations