Geometry & MOs

Info

ID:	81659
PubChem CID:	49854976
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	308.134007
ΔH_f, kcal/mol:	150.58
Dipole, Da:	5.87
IP(EA), eV:	-9.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-(111C)methylphenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations