Geometry & MOs

Info

ID:	51544
PubChem CID:	12014232
Reduced:	N3H20C25 (1)
Stoich.:	A3B20C25 (1)
Weight, g/mol:	379.05454
ΔH_f, kcal/mol:	145.84
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124040
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-4-ium;iodide

Drug info:

PubChemData

Smile

C[N+]1=C(C=C(N2C1=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations