Geometry & MOs

Info

ID:	305644
PubChem CID:	124963572
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	4.49
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC=CC(=C2)[C@H]3CCCN3C(=O)C(C)(C)OC

DOS

IR

Vibrations