Geometry & MOs

Info

ID:	373919
PubChem CID:	131321289
Reduced:	BrClN2O2F3H3C7 (1)
Stoich.:	ABC2D2E3F3G7 (1)
Weight, g/mol:	232.076726
ΔH_f, kcal/mol:	-210.63
Dipole, Da:	1.5
IP(EA), eV:	-10.27(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[(2-methylphenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1Br)Cl)OC(F)(F)F)C(=O)N

DOS

IR

Vibrations