Geometry & MOs

Info

ID:	246245
PubChem CID:	103058869
Reduced:	Br2O3N4H10C12 (1)
Stoich.:	A2B3C4D10E12 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	37.57
Dipole, Da:	8.37
IP(EA), eV:	-9.12(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)COC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

DOS

IR

Vibrations