Geometry & MOs

Info

ID:	161160
PubChem CID:	57390928
Reduced:	ClO2N3H10C18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	358.073372
ΔH_f, kcal/mol:	23.98
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)C(=O)O)C4=CN=CN=C42)Cl

DOS

IR

Vibrations