Geometry & MOs

Info

ID:	23717
PubChem CID:	605515
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	4.12
IP(EA), eV:	-9.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-6-pentyl-4-(1-phenyltetrazol-5-yl)oxybenzoate

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)OC2=NN=NN2C3=CC=CC=C3)O)C(=O)OCC

DOS

IR

Vibrations