Geometry & MOs

Info

ID:	266955
PubChem CID:	103580204
Reduced:	BrClO2N3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	289.98215
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	2.04
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-3-chloropyridin-2-yl)pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations