Geometry & MOs

Info

ID:	343839
PubChem CID:	127267015
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	333.195346
ΔH_f, kcal/mol:	84.49
Dipole, Da:	5.74
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyclopropyl-1-phenyltriazol-4-yl)methyl]-2-(3-methylpyridin-4-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC2=C(N(N=N2)C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations