Geometry & MOs

Info

ID:	321637
PubChem CID:	126666709
Reduced:	FO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	1.3
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CC5=NOC=C5)C

DOS

IR

Vibrations