Geometry & MOs

Info

ID:	321605
PubChem CID:	126666672
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	502.177168
ΔH_f, kcal/mol:	101.14
Dipole, Da:	4.48
IP(EA), eV:	-9.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CN5C=C(N=N5)C

DOS

IR

Vibrations