Geometry & MOs

Info

ID:	318793
PubChem CID:	126653278
Reduced:	NF2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	199.044485
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	8.17
IP(EA), eV:	-10.28(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-difluoro-2-methyl-5-[(E)-2-nitroethenyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)/C=C/[N+](=O)[O-])F

DOS

IR

Vibrations