Geometry & MOs

Info

ID:	180968
PubChem CID:	76712720
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	387.165743
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	1.93
IP(EA), eV:	-9.21(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)phenyl]pent-1-yn-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC1=CC=CC=C1C=CCO

DOS

IR

Vibrations