Geometry & MOs

Info

ID:	266923
PubChem CID:	103580080
Reduced:	BrClON2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	-23.54
Dipole, Da:	3.77
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCOCCNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations