Geometry & MOs

Info

ID:	410921
PubChem CID:	135083722
Reduced:	LiOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	5.62
IP(EA), eV:	-8.78(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(butylamino)-4-phenylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

[Li+].C/C=C\C(CCC1=CC=CC=C1)[O-]

DOS

IR

Vibrations