Geometry & MOs

Info

ID:	372743
PubChem CID:	131303814
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	207.057866
ΔH_f, kcal/mol:	18.68
Dipole, Da:	4.96
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-3-(2H-tetrazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=NN(C(=O)C2CCN)C

DOS

IR

Vibrations