Geometry & MOs

Info

ID:	201481
PubChem CID:	79542677
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	57.27
Dipole, Da:	5.36
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethylphenyl)methyl]-5-propyltriazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC=C(S2)CC)N

DOS

IR

Vibrations