Geometry & MOs

Info

ID:	246500
PubChem CID:	103061023
Reduced:	SN5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	56.87
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

CC1CSCCN1CC2=CN=C(C=N2)NN

DOS

IR

Vibrations