Geometry & MOs

Info

ID:	26588
PubChem CID:	792106
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	1.9
IP(EA), eV:	-8.23(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](COC)NCC1=CC=C(C2=CC=CC=C12)OC

DOS

IR

Vibrations