Geometry & MOs

Info

ID:	338788
PubChem CID:	127259799
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	3.32
IP(EA), eV:	-9.12(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-1-methyl-2-prop-1-ynylpyrrolidin-3-yl) 2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C)C#CC(N1CCC(CC1)OC(=O)CC2=CC=CC=C2)O

DOS

IR

Vibrations