Geometry & MOs

Info

ID:	279072
PubChem CID:	103840919
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-129.11
Dipole, Da:	5.07
IP(EA), eV:	-9.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2CCCC2C(=O)O

DOS

IR

Vibrations