Geometry & MOs

Info

ID:	42335
PubChem CID:	8149448
Reduced:	OCl2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	370.273262
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	5.25
IP(EA), eV:	-7.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations