Geometry & MOs

Info

ID:	350877
PubChem CID:	127279165
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	1.44
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations