Geometry & MOs

Info

ID:	327851
PubChem CID:	126691161
Reduced:	ClO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	455.156909
ΔH_f, kcal/mol:	9.35
Dipole, Da:	2.46
IP(EA), eV:	-9.45(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyloxan-4-yl)-2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C3=C4C=C(C=CC4=NC=C3N=C2C(=O)C5=NOC=C5)Cl

DOS

IR

Vibrations