Geometry & MOs

Info

ID:	334832
PubChem CID:	127253638
Reduced:	O2N3C22H37 (1)
Stoich.:	A2B3C22D37 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	6.44
IP(EA), eV:	-8.6(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)-5-phenylmethoxypyran-4-one

Drug info:

PubChemData

Smile

COCCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)CCCN3C=CC=C3

DOS

IR

Vibrations