Geometry & MOs

Info

ID:	327860
PubChem CID:	126691176
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	451.161995
ΔH_f, kcal/mol:	-39.79
Dipole, Da:	3.83
IP(EA), eV:	-10.12(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCO[C@@H](C1)CC#N

DOS

IR

Vibrations