Geometry & MOs

Info

ID:	45560
PubChem CID:	10514928
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	1.66
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(4-methoxyphenyl)butanedioate

Drug info:

PubChemData

Smile

C[C@H](CC1=C2C(=CC3=C1C=CO3)C=CO2)N

DOS

IR

Vibrations