Geometry & MOs

Info

ID:	399192
PubChem CID:	135038599
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	2.21
IP(EA), eV:	-9.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-ethyl-1-phenylhex-5-en-1-yn-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)[18O]C(=O)C1=CC=CC=C1

DOS

IR

Vibrations