Geometry & MOs

Info

ID:	312218
PubChem CID:	126603646
Reduced:	SF2O6N7C34H41 (1)
Stoich.:	AB2C6D7E34F41 (1)
Weight, g/mol:	236.131349
ΔH_f, kcal/mol:	-266.07
Dipole, Da:	4.07
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-2H-quinolin-1-yl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=C(C=C(C=C2F)OC)F)C(NC3=C(N(N=C3)C)N4CCC[C@H](CC4)NC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations