Geometry & MOs

Info

ID:	366844
PubChem CID:	127320482
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	4.12
IP(EA), eV:	-9.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations