Geometry & MOs

Info

ID:	243087
PubChem CID:	99215454
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	4.83
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

DOS

IR

Vibrations