Geometry & MOs

Info

ID:	205980
PubChem CID:	80186183
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	3.47
IP(EA), eV:	-9.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxy-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations