Geometry & MOs

Info

ID:	173532
PubChem CID:	75649303
Reduced:	SO4N5C12H14 (1)
Stoich.:	AB4C5D12E14 (1)
Weight, g/mol:	363.137649
ΔH_f, kcal/mol:	-10.27
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919400
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazolo[1,5-a]quinazolin-10-ium-5-amine

Drug info:

PubChemData

Smile

CC(=C1C=CC=[NH+]1)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations