Geometry & MOs

Info

ID:	186055
PubChem CID:	77384829
Reduced:	ClNO5C22H34 (1)
Stoich.:	ABC5D22E34 (1)
Weight, g/mol:	425.196901
ΔH_f, kcal/mol:	-255.23
Dipole, Da:	3.65
IP(EA), eV:	-9.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3-chloro-2-methylphenyl)-(2-ethoxy-2-oxoethoxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)COC(C1CCCN(C1)C(=O)OC(C)(C)C)C2C=CC=CC2(C)Cl

DOS

IR

Vibrations