Geometry & MOs

Info

ID:	321549
PubChem CID:	126666569
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	7.78
IP(EA), eV:	-8.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[(2R,4R)-2-methyloxan-4-yl]amino]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2NC(=O)CC4=NC=C(C=C4)OC)C#N

DOS

IR

Vibrations