Geometry & MOs

Info

ID:	195106
PubChem CID:	78635757
Reduced:	ClN4O4H15C20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	394.083268
ΔH_f, kcal/mol:	3.7
Dipole, Da:	5.34
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NOC(=N2)COC(=O)C=CC3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations