Geometry & MOs

Info

ID:	411526
PubChem CID:	135084358
Reduced:	ClPC14H14 (1)
Stoich.:	ABC14D14 (1)
Weight, g/mol:	204.0939
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	3.08
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-phenylbut-1-en-3-yn-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(C2=CC=CC=C2)Cl)C

DOS

IR

Vibrations