Geometry & MOs

Info

ID:	27338
PubChem CID:	820762
Reduced:	F2N3O3H9C16 (1)
Stoich.:	A2B3C3D9E16 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	6.3
IP(EA), eV:	-9.93(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-nitro-3,4-dihydrochromene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(/C#N)\C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)F

DOS

IR

Vibrations