Geometry & MOs

Info

ID:	283693
PubChem CID:	103998865
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	5.67
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C)C(=O)C1=CC2=C(CNC2)C=C1

DOS

IR

Vibrations