Geometry & MOs

Info

ID:	359003
PubChem CID:	127297247
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	5.83
IP(EA), eV:	-8.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2(CCCCC2)CNC(=O)C3=NNC4=C3CCC4)C

DOS

IR

Vibrations