Geometry & MOs

Info

ID:	405289
PubChem CID:	135073345
Reduced:	O2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	448.099685
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	2.94
IP(EA), eV:	-9.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2E)-2-benzylidenecyclopropyl]methoxy]-1,1-bis(4-chlorophenyl)but-2-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C/C1CC1)(CC#CC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations