Geometry & MOs

Info

ID:	382508
PubChem CID:	134973715
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	2.13
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,8aR)-1-acetyl-6-phenyl-6-(phenylmethoxymethyl)-3,4,4a,5,7,8a-hexahydro-2H-1,7-naphthyridin-8-one

Drug info:

PubChemData

Smile

CC/C(=C\C1=CC=C(C=C1)OC2=CC=CC=C2)/C(=O)OCC

DOS

IR

Vibrations