Geometry & MOs

Info

ID:	321627
PubChem CID:	126666697
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	37.39
Dipole, Da:	2.15
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C=NC3=C(N=C4C=CC(=C(C4=C32)N5COC=C5)C#N)C

DOS

IR

Vibrations