Geometry & MOs

Info

ID:	37651
PubChem CID:	8022848
Reduced:	NO3H7C10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	390.193
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	4.75
IP(EA), eV:	-9.72(-4.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=C2NC(=O)C=CC(=O)[O-])NC(=O)C=CC(=O)[O-]

DOS

IR

Vibrations