Geometry & MOs

Info

ID:	376562
PubChem CID:	134222581
Reduced:	BrClN3O3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	261.126598
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	3.18
IP(EA), eV:	-9.6(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3,5-diphenylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1=COC(=C1)CC(C(=O)O)NC2=NC=C(N=C2Br)Cl

DOS

IR

Vibrations