Geometry & MOs

Info

ID:	128752
PubChem CID:	51057133
Reduced:	OBr3N3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	599.331922
ΔH_f, kcal/mol:	33.68
Dipole, Da:	1.9
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-2,6-dimethylpyridin-1-ium-1-yl] morpholine-4-carboxylate;tetraphenylboranuide

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C(=CC(=C5)Br)Br

DOS

IR

Vibrations