Geometry & MOs

Info

ID:	321562
PubChem CID:	126666616
Reduced:	FON2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	355.114376
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	5.37
IP(EA), eV:	-9.65(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4R)-2-methyloxan-4-yl]-3-nitro-6-(trifluoromethyl)quinolin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N)(F)F

DOS

IR

Vibrations