Geometry & MOs

Info

ID:	403306
PubChem CID:	135059658
Reduced:	NO6H21C23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	254.111836
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	8.24
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,3-difluoro-5-methylhex-2-enoate

Drug info:

PubChemData

Smile

COCOC1=C(C=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations