Geometry & MOs

Info

ID:	396487
PubChem CID:	135028573
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	380.125988
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	5.45
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[2-[2-(2,4-dimethoxyphenyl)ethynyl]phenyl]-1-methoxycarbonylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@]1(C[C@H]1C2=CC=CC=C2C#CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations