Geometry & MOs

Info

ID:	282548
PubChem CID:	103930512
Reduced:	BrClN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	299.97774
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	7.38
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=CC(=C(N=C2)Cl)Br)O

DOS

IR

Vibrations