Geometry & MOs

Info

ID:	45490
PubChem CID:	10514132
Reduced:	BrN4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	239.101839
ΔH_f, kcal/mol:	104.67
Dipole, Da:	5.32
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-acetamido-6-(methoxymethyl)-1,3,5-triazin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NN2C=NN=C2)Br

DOS

IR

Vibrations