Geometry & MOs

Info

ID:	248755
PubChem CID:	103084143
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	278.01671
ΔH_f, kcal/mol:	5.34
Dipole, Da:	7.89
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=O)C3=C(N2)NCCC3

DOS

IR

Vibrations