Geometry & MOs

Info

ID:	150464
PubChem CID:	53790154
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	130.081622
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	4.9
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1C2=CC=C(C=C2)N)CO

DOS

IR

Vibrations