Geometry & MOs

Info

ID:	202799
PubChem CID:	79728784
Reduced:	ClFN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-28.79
Dipole, Da:	1.86
IP(EA), eV:	-8.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-2,3-dimethylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC2(CC1)CNCCN2C3=C(C=C(C=N3)Cl)F

DOS

IR

Vibrations