Geometry & MOs

Info

ID:	201176
PubChem CID:	79500997
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	62.52
Dipole, Da:	5.41
IP(EA), eV:	-8.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-propan-2-yltriazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2=CC=C(C=C2)C)N

DOS

IR

Vibrations