Geometry & MOs

Info

ID:	59102
PubChem CID:	24770952
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	1.91
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[diethyl-(1-naphthalen-1-ylsulfonylindazol-5-yl)azaniumyl]propanimidate

Drug info:

PubChemData

Smile

CCOC1=NC=CC2=C1C=CC=C2OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations