Geometry & MOs

Info

ID:	350065
PubChem CID:	127276938
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	2.74
IP(EA), eV:	-8.94(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpyrrolidin-1-yl)-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1CCCN1CC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations