Geometry & MOs

Info

ID:	424476
PubChem CID:	135122829
Reduced:	NC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	592.142435
ΔH_f, kcal/mol:	53.28
Dipole, Da:	3.98
IP(EA), eV:	-8.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[2-[(3R,5S)-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=CC(=C(C=C1N)C)CC2=CC=CC=C2C#N

DOS

IR

Vibrations