Geometry & MOs

Info

ID:	176730
PubChem CID:	76089310
Reduced:	ClON2F4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	124.088815
ΔH_f, kcal/mol:	-167.51
Dipole, Da:	2.15
IP(EA), eV:	-8.66(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylhept-5-en-1-yn-3-ol

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=C2C(=CC(C=N2)C(F)(F)F)Cl)C(=C1)F)N

DOS

IR

Vibrations