Geometry & MOs

Info

ID:	353361
PubChem CID:	127284737
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	2.69
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)N2CCN(CC2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations