Geometry & MOs

Info

ID:	387995
PubChem CID:	134987736
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	243.993696
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	2.46
IP(EA), eV:	-10.16(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1,1,1-trichloro-3-pyrrolidin-1-yliminopropan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C=CC(O1)CC=O)OC(=O)C

DOS

IR

Vibrations