Geometry & MOs

Info

ID:	404540
PubChem CID:	135066698
Reduced:	ON3H21C27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	103.59
Dipole, Da:	4.99
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(4-butyl-6-methoxy-2-methylpyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1CCC2=C1N=C(C=C2C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations