Geometry & MOs

Info

ID:	321665
PubChem CID:	126666761
Reduced:	FO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	382.130887
ΔH_f, kcal/mol:	8.48
Dipole, Da:	5.1
IP(EA), eV:	-9.59(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N)F

DOS

IR

Vibrations