Geometry & MOs

Info

ID:	395677
PubChem CID:	135026253
Reduced:	OC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	1.38
IP(EA), eV:	-8.61(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(1-benzyl-4-oxo-2-propan-2-yl-2,3-dihydropyridin-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C/C=C\CC1=CC=C(C=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations