Geometry & MOs

Info

ID:	21648
PubChem CID:	589408
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	70.5
Dipole, Da:	4.92
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations