Geometry & MOs

Info

ID:	424463
PubChem CID:	135122772
Reduced:	OC5H6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	592.142435
ΔH_f, kcal/mol:	-140.42
Dipole, Da:	0.62
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[2-[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-5-chloropyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C(C)(C)C(=O)OC)OCC#C)COCC2=CC=C(C=C2)OC

DOS

IR

Vibrations