Geometry & MOs

Info

ID:	148399
PubChem CID:	53788061
Reduced:	SO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-4.41
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021179
Charge, e:	0

Chem-info

IUPAC name:

ethane;1-piperidin-4-yl-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)NC3=[N+](C2=O)C=C(C=C3)C(=O)NCCSC4=CC=NC=C4

DOS

IR

Vibrations