Geometry & MOs

Info

ID:	178160
PubChem CID:	76287000
Reduced:	F2N2P3C10H15O15 (1)
Stoich.:	A2B2C3D10E15F15 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-928.64
Dipole, Da:	1.57
IP(EA), eV:	-10.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@]([C@@H]([C@](O2)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)O)(CF)O

DOS

IR

Vibrations