Geometry & MOs

Info

ID:	241041
PubChem CID:	93621333
Reduced:	ClSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	2.92
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Cl)C(=O)N[C@H]2CCCCNC2=O

DOS

IR

Vibrations