Geometry & MOs

Info

ID:	1740
PubChem CID:	4967
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	36.17
Dipole, Da:	2.2
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propylpyridine-4-carboximidothioic acid

Drug info:

PubChemData

Smile

CCCC1=NC=CC(=C1)C(=N)S

DOS

IR

Vibrations