Geometry & MOs

Info

ID:	197400
PubChem CID:	78962772
Reduced:	ClO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-166.95
Dipole, Da:	2.26
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)Cl)OCCOCCOC)O

DOS

IR

Vibrations