Geometry & MOs

Info

ID:	47964
PubChem CID:	10536063
Reduced:	ClC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	2.93
IP(EA), eV:	-9.3(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-3-(hydroxymethyl)-5-phenylpent-4-ynenitrile

Drug info:

PubChemData

Smile

CC/C(=C\CC/C(=C/CCl)/CC)/C

DOS

IR

Vibrations