Geometry & MOs

Info

ID:	78354
PubChem CID:	49688791
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-173.78
Dipole, Da:	1.49
IP(EA), eV:	-9.56(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-phenylsulfanylpropanoylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations