Geometry & MOs

Info

ID:	395678
PubChem CID:	135026255
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	9.36
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)C(=CN1CC2=CC=CC=C2)/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations