Geometry & MOs

Info

ID:	125021
PubChem CID:	50907574
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	512.202382
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	2.38
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-bis(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=CC(=C2)O)CCCC(C)(C)O

DOS

IR

Vibrations