Geometry & MOs

Info

ID:	283694
PubChem CID:	103998982
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.33
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-isoindol-5-yl-(2-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations