Geometry & MOs

Info

ID:	200551
PubChem CID:	79410047
Reduced:	N3O3C10H17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	275.011599
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	1.53
IP(EA), eV:	-9.48(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CN1C[C@H]([C@H](C1)O)O

DOS

IR

Vibrations