Geometry & MOs

Info

ID:	397665
PubChem CID:	135030543
Reduced:	O4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-117.14
Dipole, Da:	4.79
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 4-O-methyl (2S,4R)-4-methoxy-2-methylpiperidine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations