Geometry & MOs

Info

ID:	148897
PubChem CID:	53788567
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	210.069222
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	2.99
IP(EA), eV:	-9.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluorophenyl)-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1Cl)N=CCC2=CC=CC=C2F

DOS

IR

Vibrations