Geometry & MOs

Info

ID:	375069
PubChem CID:	131465421
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	303.92259
ΔH_f, kcal/mol:	-193.3
Dipole, Da:	3.27
IP(EA), eV:	-9.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-chloro-3-(trifluoromethoxy)pyridin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)OC(F)(F)F)CCl)Br

DOS

IR

Vibrations