Geometry & MOs

Info

ID:	402680
PubChem CID:	135056825
Reduced:	BOF3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-316.17
Dipole, Da:	8.0
IP(EA), eV:	-9.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-1-ylbut-3-en-2-ol

Drug info:

PubChemData

Smile

[B-](O[C@H](C)[CH+]C1=CC=CC=C1)(F)(F)F

DOS

IR

Vibrations