Geometry & MOs

Info

ID:	238191
PubChem CID:	92729776
Reduced:	ClN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	3.38
IP(EA), eV:	-8.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2CCN(CC2)CC3=CN(C4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations