Geometry & MOs

Info

ID:	401092
PubChem CID:	135050099
Reduced:	BNOSF4C11H12 (1)
Stoich.:	ABCDE4F11G12 (1)
Weight, g/mol:	138.104465
ΔH_f, kcal/mol:	-333.98
Dipole, Da:	15.53
IP(EA), eV:	-9.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,3,4-trimethylhex-3-en-5-yn-2-ol

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C[N+](=C1OC(=CS1)C2=CC=CC=C2)C

DOS

IR

Vibrations