Geometry & MOs

Info

ID:	412723
PubChem CID:	135085637
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	256.065493
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-phenylbut-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/NC(=O)C)/Cl

DOS

IR

Vibrations