Geometry & MOs

Info

ID:	395331
PubChem CID:	135025206
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	340.224974
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	1.77
IP(EA), eV:	-9.08(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-(2,2-dimethyl-5-oxocyclohexyl)propanedioate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@H]1CCCCN1C

DOS

IR

Vibrations