Geometry & MOs

Info

ID:	126573
PubChem CID:	50968492
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	331.154544
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	2.81
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[phenyl-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]methyl]tetrazole

Drug info:

PubChemData

Smile

CN1CCC=C(C1)CCNC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations