Geometry & MOs

Info

ID:	416885
PubChem CID:	135090675
Reduced:	N7C11H17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	90.82
Dipole, Da:	4.43
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,7aR)-N-(2-ethoxyphenyl)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC=N1)NCCCC2=NNN=N2

DOS

IR

Vibrations