Geometry & MOs

Info

ID:	150323
PubChem CID:	53790011
Reduced:	BrN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	267.076967
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	5.79
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-oxo-7-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

CN([C@@H]1CCCC([C@H]1N2CCCC2)OC)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations