Geometry & MOs

Info

ID:	327846
PubChem CID:	126691154
Reduced:	FON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	51.44
Dipole, Da:	4.06
IP(EA), eV:	-9.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=NC3=CN=C4C=CC(=CC4=C3N2C5CCCC5F)C#N

DOS

IR

Vibrations