Geometry & MOs

Info

ID:	177642
PubChem CID:	76207838
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	4.8
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)oxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2=CC=CC(=C2)C(=NO)N

DOS

IR

Vibrations