Geometry & MOs

Info

ID:	305832
PubChem CID:	124971194
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	2.05
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=NC(=CC=C2)[C@@H]3CN(CCO3)C(=O)CC4=CC=CC=N4

DOS

IR

Vibrations