Geometry & MOs

Info

ID:	336846
PubChem CID:	127255853
Reduced:	ClNO2C8H18 (1)
Stoich.:	ABC2D8E18 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	3.95
IP(EA), eV:	-9.38(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(3-amino-6-oxo-1H-isoindol-2-yl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCNCC(=O)OC(C)(C)C.Cl

DOS

IR

Vibrations