Geometry & MOs

Info

ID:	235329
PubChem CID:	92309442
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-148.89
Dipole, Da:	4.01
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[5-(5-methylindazol-1-yl)-5-oxopentanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCCC(=O)N2C3=C(C=C(C=C3)C)C=N2

DOS

IR

Vibrations