Geometry & MOs

Info

ID:	318224
PubChem CID:	126649747
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	7.78
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(4-methoxyphenyl)-2,2,6,6-tetramethyl-1,3-dihydropyridin-5-yl]methoxy]isoindol-1-one

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)O)/NCC1=CC=C(C=C1)OC

DOS

IR

Vibrations