Geometry & MOs

Info

ID:	246474
PubChem CID:	103060095
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	12.85
Dipole, Da:	0.78
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CC1CCCC(C1)SCC2=CN=C(C=N2)N

DOS

IR

Vibrations