Geometry & MOs

Info

ID:	180445
PubChem CID:	76633759
Reduced:	SN5O7C25H33 (1)
Stoich.:	AB5C7D25E33 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-246.24
Dipole, Da:	8.07
IP(EA), eV:	-9.72(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethyl-5-quinolin-4-ylpiperidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)N(C2CCCCC2)C(=O)C3=CSC(=C3COC(=O)C)C(=N)N=CC(=O)O)N

DOS

IR

Vibrations