Geometry & MOs

Info

ID:	322260
PubChem CID:	126669553
Reduced:	FNO7C14H16 (1)
Stoich.:	ABC7D14E16 (1)
Weight, g/mol:	377.072236
ΔH_f, kcal/mol:	-251.84
Dipole, Da:	4.79
IP(EA), eV:	-9.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-[4-(difluoromethoxy)-2-fluorocyclohepta-2,4-dien-6-yn-1-yl]-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)F

DOS

IR

Vibrations