Geometry & MOs

Info

ID:	275665
PubChem CID:	103816972
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	4.59
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-dimethylphenyl)-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)C2=CC(=O)N(C=C2)C)C

DOS

IR

Vibrations