Geometry & MOs

Info

ID:	201479
PubChem CID:	79542675
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	92.78
Dipole, Da:	5.04
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-propyltriazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations