Geometry & MOs

Info

ID:	403178
PubChem CID:	135059071
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	3.47
Dipole, Da:	3.01
IP(EA), eV:	-8.49(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-(5-fluoropyridin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2C(=O)C)C3=CC=CC=C3)C

DOS

IR

Vibrations