Geometry & MOs

Info

ID:	391470
PubChem CID:	135005531
Reduced:	NO7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	8.13
IP(EA), eV:	-10.5(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-methyl-1-oxohexan-3-yl)propanedioate

Drug info:

PubChemData

Smile

CC(C=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations