Geometry & MOs

Info

ID:	147706
PubChem CID:	53787363
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	335.236148
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	2.09
IP(EA), eV:	-8.03(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(2-methylphenyl)piperazin-2-yl]ethyl]-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

C1CC=CSCC(=CNCC2=CC=CC=C2)N(C(=O)C1)O

DOS

IR

Vibrations