Geometry & MOs

Info

ID:	396488
PubChem CID:	135028575
Reduced:	O3H10C11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	365.089937
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	1.71
IP(EA), eV:	-8.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C#CC2=CC=CC=C2[C@@H]3C[C@]3(C(=O)O)C(=O)OC)OC

DOS

IR

Vibrations