Geometry & MOs

Info

ID:	288397
PubChem CID:	104316221
Reduced:	BrO2N4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	250.98066
ΔH_f, kcal/mol:	84.93
Dipole, Da:	4.74
IP(EA), eV:	-8.87(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopyridin-2-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=O)/C(=C\2/N=C(NO2)C3=NC=C(C=C3)Br)/N=C1

DOS

IR

Vibrations