Geometry & MOs

Info

ID:	203708
PubChem CID:	79859367
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	-121.72
Dipole, Da:	7.92
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethoxypiperidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1=NC(=CN=C1)C(=O)O

DOS

IR

Vibrations