Geometry & MOs

Info

ID:	415478
PubChem CID:	135088473
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	4.09
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2,6-dimethylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1COCCN1C2CN(C2)C(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

DOS

IR

Vibrations