Geometry & MOs

Info

ID:	446517
PubChem CID:	135275616
Reduced:	FN2O4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	2.7
IP(EA), eV:	-9.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(6-methoxy-4-methylpyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)N2CCC3=C(C2)C=C(C=C3)C(C4=CN=C(C=C4C)OC)C(=O)O

DOS

IR

Vibrations