Geometry & MOs

Info

ID:	222187
PubChem CID:	85295106
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	5.77
IP(EA), eV:	-9.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-fluorophenyl)pent-4-enoate

Drug info:

PubChemData

Smile

COC1(CNC1C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations