Geometry & MOs

Info

ID:	201227
PubChem CID:	79508817
Reduced:	ClN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	308.06366
ΔH_f, kcal/mol:	85.29
Dipole, Da:	4.18
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-5-tert-butyltriazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=C(N=N2)N)C3CC3

DOS

IR

Vibrations