Geometry & MOs

Info

ID:	199295
PubChem CID:	79226989
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	2.74
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CNCC2COC3=CC=CC=C23

DOS

IR

Vibrations