Geometry & MOs

Info

ID:	321659
PubChem CID:	126666747
Reduced:	ClO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	422.125802
ΔH_f, kcal/mol:	34.11
Dipole, Da:	5.42
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4S)-4-[8-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=NOC=N5

DOS

IR

Vibrations