Geometry & MOs

Info

ID:	426645
PubChem CID:	135153120
Reduced:	ClN3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	312.95614
ΔH_f, kcal/mol:	84.78
Dipole, Da:	3.45
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2Cl)C(=NC1(C)C)C3=CC4=CC=CC=C4N=N3)C

DOS

IR

Vibrations