Geometry & MOs

Info

ID:	202611
PubChem CID:	79698634
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	291.199843
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	2.2
IP(EA), eV:	-8.45(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[butan-2-yl(butyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(CC2CCNCC2)C(C)C

DOS

IR

Vibrations