Geometry & MOs

Info

ID:	321567
PubChem CID:	126666621
Reduced:	FN2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-41.3
Dipole, Da:	5.05
IP(EA), eV:	-8.69(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC2=C3C=C(C=CC3=NC=C2N)C#N)(F)F

DOS

IR

Vibrations