Geometry & MOs

Info

ID:	392461
PubChem CID:	135016695
Reduced:	NF2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-281.85
Dipole, Da:	4.7
IP(EA), eV:	-10.07(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-[(E)-3-(2-methylphenyl)-2-nitroprop-2-enyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=C(F)F)C[C@H]1C(=O)OC

DOS

IR

Vibrations