Geometry & MOs

Info

ID:	26545
PubChem CID:	652323
Reduced:	SN2O5H10C12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	502.195131
ΔH_f, kcal/mol:	-177.98
Dipole, Da:	6.93
IP(EA), eV:	-9.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]acetate;oxalic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)S1)CC(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations