Geometry & MOs

Info

ID:	141970
PubChem CID:	52959748
Reduced:	O3N6H26C27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	469.200644
ΔH_f, kcal/mol:	27.81
Dipole, Da:	1.26
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazine-1,4-diium-1-ylidene)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;chloride

Drug info:

PubChemData

Smile

C/C(=N\N=C\1/N=C2C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C)/C5=CC=C(C=C5)OC

DOS

IR

Vibrations