Geometry & MOs

Info

ID:	415844
PubChem CID:	135088846
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-138.28
Dipole, Da:	5.12
IP(EA), eV:	-8.76(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carbonyl]-2-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CC3=CC(=CC=C3)OC)O

DOS

IR

Vibrations