Geometry & MOs

Info

ID:	382510
PubChem CID:	134973717
Reduced:	N2O3C31H34 (1)
Stoich.:	A2B3C31D34 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	6.95
IP(EA), eV:	-9.25(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]2[C@@H]1C(=O)N([C@](C2)(COCC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations