Geometry & MOs

Info

ID:	9695
PubChem CID:	92461
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	4.3
IP(EA), eV:	-9.25(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCN1CC2CCCCC2C1=O

DOS

IR

Vibrations