Geometry & MOs

Info

ID:	267775
PubChem CID:	103588960
Reduced:	BrNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	4.75
IP(EA), eV:	-9.88(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-bromo-5-nitrophenoxy)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations