Geometry & MOs

Info

ID:	399620
PubChem CID:	135041285
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	1.8
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-ethyl-2-(2-phenylmethoxyethyl)pent-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=CCCC[C@]12C[C@H]2COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations