Geometry & MOs

Info

ID:	375047
PubChem CID:	131465355
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	220.045962
ΔH_f, kcal/mol:	-221.63
Dipole, Da:	5.11
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1OC(F)(F)F)Br)N

DOS

IR

Vibrations