Geometry & MOs

Info

ID:	265361
PubChem CID:	103518117
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	267.01196
ΔH_f, kcal/mol:	30.61
Dipole, Da:	2.93
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(1-methylpyrazol-3-yl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2CN1C3=C(C=NC=C3N)Br

DOS

IR

Vibrations