Geometry & MOs

Info

ID:	51343
PubChem CID:	12013996
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	432.140868
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	1.68
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(naphthalen-1-ylmethyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H]([C@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations