Geometry & MOs

Info

ID:	382509
PubChem CID:	134973716
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	482.256943
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	7.7
IP(EA), eV:	-9.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations