Geometry & MOs

Info

ID:	403143
PubChem CID:	135058954
Reduced:	N2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	5.08
IP(EA), eV:	-9.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-(4-methylpyridin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C=CCCN1C2=CC=CC=C2N=C1C(F)(F)F

DOS

IR

Vibrations