Geometry & MOs

Info

ID:	380042
PubChem CID:	134964524
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	3.88
IP(EA), eV:	-9.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S)-2-(2-methylphenyl)cyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(C[C@@H]1C2=CC=CC=C2)C#N

DOS

IR

Vibrations