Geometry & MOs

Info

ID:	286899
PubChem CID:	104223431
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	33.95
Dipole, Da:	6.54
IP(EA), eV:	-9.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methyl-6-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=NC=C(C=N2)CNC)[N+](=O)[O-])Br

DOS

IR

Vibrations