Geometry & MOs

Info

ID:	60912
PubChem CID:	26703064
Reduced:	O3C10H10 (2)
Stoich.:	A3B10C10 (2)
Weight, g/mol:	380.067618
ΔH_f, kcal/mol:	-192.32
Dipole, Da:	5.5
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(tetrazol-1-yl)phenyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations