Geometry & MOs

Info

ID:	81658
PubChem CID:	49854975
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	288.144178
ΔH_f, kcal/mol:	151.36
Dipole, Da:	6.5
IP(EA), eV:	-9.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-(111C)methylphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

[11CH3]C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

DOS

IR

Vibrations