Geometry & MOs

Info

ID:	246498
PubChem CID:	103061019
Reduced:	N5C11H21 (1)
Stoich.:	A5B11C21 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	43.75
Dipole, Da:	2.73
IP(EA), eV:	-8.76(-0.56)
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]oxan-4-amine

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)CC1=CN=C(C=N1)NN

DOS

IR

Vibrations