Geometry & MOs

Info

ID:	336415
PubChem CID:	127255422
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	177.078123
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	2.44
IP(EA), eV:	-8.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=C(CN(C2)C3=CC=C(C=C3)CCF)C=C1

DOS

IR

Vibrations