Geometry & MOs

Info

ID:	157179
PubChem CID:	56422229
Reduced:	Cl2N4O4H16C19 (1)
Stoich.:	A2B4C4D16E19 (1)
Weight, g/mol:	405.143704
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	5.83
IP(EA), eV:	-9.28(-0.79)
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-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations