Geometry & MOs

Info

ID:	294829
PubChem CID:	117499013
Reduced:	BrNO2F3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	312.99253
ΔH_f, kcal/mol:	-231.32
Dipole, Da:	5.48
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]-N-methoxymethanamine

Drug info:

PubChemData

Smile

CNCC(C1=C(C(=CC(=C1)C(F)(F)F)Br)O)O

DOS

IR

Vibrations