Geometry & MOs

Info

ID:	29419
PubChem CID:	833687
Reduced:	SN2O2H16C19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	272.03281
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	5.74
IP(EA), eV:	-8.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-phenyl-4-(trifluoromethyl)pyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H](SCC2=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations