Geometry & MOs

Info

ID:	173575
PubChem CID:	75655353
Reduced:	SO2N5C23H37 (1)
Stoich.:	AB2C5D23E37 (1)
Weight, g/mol:	442.213067
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	2.42
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)NC(C)C(C)C

DOS

IR

Vibrations