Geometry & MOs

Info

ID:	290032
PubChem CID:	104399785
Reduced:	BrN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	9.78
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations