Geometry & MOs

Info

ID:	321564
PubChem CID:	126666618
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	75.13
Dipole, Da:	3.76
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2R,4S)-2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC=C5

DOS

IR

Vibrations