Geometry & MOs

Info

ID:	286898
PubChem CID:	104223429
Reduced:	Br2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	5.94
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-methyl-6-nitrophenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=C(C=C(C(=C2)Br)OC)Br

DOS

IR

Vibrations