Geometry & MOs

Info

ID:	193808
PubChem CID:	78441129
Reduced:	ClN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	2.59
IP(EA), eV:	-9.33(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations