Geometry & MOs

Info

ID:	396486
PubChem CID:	135028572
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	1.53
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-methoxycarbonyl-2-[2-(2-phenylethynyl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1C2CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations