Geometry & MOs

Info

ID:	24261
PubChem CID:	608855
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	26.13
Dipole, Da:	7.02
IP(EA), eV:	-8.7(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dimethyl-2-nitronaphtho[2,3-e][1]benzofuran

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C(C4=C3C=C(O4)[N+](=O)[O-])C)C=C2C=C1

DOS

IR

Vibrations