Geometry & MOs

Info

ID:	282175
PubChem CID:	103917937
Reduced:	BrClO2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-25.69
Dipole, Da:	3.14
IP(EA), eV:	-9.38(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(3-chloro-2-hydroxyphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations