Geometry & MOs

Info

ID:	30537
PubChem CID:	841465
Reduced:	OSN2H8C12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	55.14
Dipole, Da:	1.04
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C(=O)N3C=CC=N3

DOS

IR

Vibrations