Geometry & MOs

Info

ID:	405278
PubChem CID:	135073330
Reduced:	OC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	4.35
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[2-(3-phenylprop-2-ynoxymethyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

C/C(=C(/C)\C1=CC=CC=C1)/COCC2CC2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations