Geometry & MOs

Info

ID:	192641
PubChem CID:	78295499
Reduced:	BrClSO2N3H11C16 (1)
Stoich.:	ABCD2E3F11G16 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	15.23
Dipole, Da:	4.31
IP(EA), eV:	-9.18(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(8-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)SCC(=O)NC3=C(C=C(C=C3)Br)Cl)C=C1

DOS

IR

Vibrations