Geometry & MOs

Info

ID:	416200
PubChem CID:	135089210
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	1.93
Dipole, Da:	3.8
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-pyridin-3-yloxyethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)C3CCC4=CC=CC=C4C3

DOS

IR

Vibrations