Geometry & MOs

Info

ID:	208224
PubChem CID:	80505136
Reduced:	ClFN2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	197.164046
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	4.7
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations