Geometry & MOs

Info

ID:	221473
PubChem CID:	85273748
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(hydroxycarbamoyl)pyrrolidine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C2(O1)C3=CC=CC=C3C4C=CC=CC4C2=O

DOS

IR

Vibrations