Geometry & MOs

Info

ID:	358961
PubChem CID:	127296852
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-136.49
Dipole, Da:	6.58
IP(EA), eV:	-9.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(cyclobutylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C2=O)CC(=O)NCC3CCC3

DOS

IR

Vibrations