Geometry & MOs

Info

ID:	258303
PubChem CID:	103152789
Reduced:	SN3O5C12H17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	252.144948
ΔH_f, kcal/mol:	-208.99
Dipole, Da:	6.5
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)SC)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations