Geometry & MOs

Info

ID:	165393
PubChem CID:	74545407
Reduced:	O2N7C13H23 (1)
Stoich.:	A2B7C13D23 (1)
Weight, g/mol:	365.150132
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	5.18
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCNN

DOS

IR

Vibrations