Geometry & MOs

Info

ID:	371831
PubChem CID:	131273909
Reduced:	SO2N4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	222.091689
ΔH_f, kcal/mol:	8.24
Dipole, Da:	2.91
IP(EA), eV:	-9.88(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-fluoro-4-methoxyphenyl)-2H-triazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1=NSC(=N1)C2=CC(=NC=N2)C(=O)O

DOS

IR

Vibrations