Geometry & MOs

Info

ID:	255294
PubChem CID:	103131205
Reduced:	FON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	192.112344
ΔH_f, kcal/mol:	-20.91
Dipole, Da:	3.26
IP(EA), eV:	-8.99(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CC=C2F)OC)N

DOS

IR

Vibrations