Geometry & MOs

Info

ID:	430495
PubChem CID:	135170559
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	137.095297
ΔH_f, kcal/mol:	59.51
Dipole, Da:	3.37
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1,5-dimethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(C)(C)C)C2=CC=CC=N2

DOS

IR

Vibrations