Geometry & MOs

Info

ID:	296139
PubChem CID:	117557542
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	242.00291
ΔH_f, kcal/mol:	33.29
Dipole, Da:	6.02
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)thiatriazol-5-amine

Drug info:

PubChemData

Smile

CCCCNC1=CC(=NC(=N1)C)NCCC#N

DOS

IR

Vibrations