Geometry & MOs

Info

ID:	370371
PubChem CID:	127338363
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	9.34
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)C3=CC=CC(=C3)CN4CCS(=O)(=O)CC4

DOS

IR

Vibrations