Geometry & MOs

Info

ID:	153312
PubChem CID:	56312493
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	1.37
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dimethylcyclohexyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2F)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations