Geometry & MOs

Info

ID:	242623
PubChem CID:	97857601
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	0.27
Dipole, Da:	2.24
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methylsulfonyl-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2O1)N(C[C@@H]3CCCO3)CC4=CN=CC=C4

DOS

IR

Vibrations