Geometry & MOs

Info

ID:	406173
PubChem CID:	135076743
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	1.96
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-phenylpent-4-yn-2-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC=C2/C=C/C(=O)NOC)C=C1

DOS

IR

Vibrations