Geometry & MOs

Info

ID:	242704
PubChem CID:	98461896
Reduced:	NO6H31C35 (1)
Stoich.:	AB6C31D35 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	8.79
IP(EA), eV:	-8.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(2,4-dimethoxyphenyl)methyl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)/C=C/C3=C(C=C(C=C3)OC)OC)C4=C1C=CC(=C4)C(=O)/C=C\C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations