Geometry & MOs

Info

ID:	302465
PubChem CID:	124361863
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	314.184172
ΔH_f, kcal/mol:	-5.49
Dipole, Da:	4.72
IP(EA), eV:	-9.37(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations