Geometry & MOs

Info

ID:	424418
PubChem CID:	135122615
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	447.086495
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	2.72
IP(EA), eV:	-9.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclopropylmethyl)-6-[(2,5-dichloropyrimidin-4-yl)amino]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Drug info:

PubChemData

Smile

C1COCCC12CC3=C(C(=O)NC2)NN=C3

DOS

IR

Vibrations