Geometry & MOs

Info

ID:	132746
PubChem CID:	51412025
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	349.118832
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	6.3
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-[(4-anilinophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3C[C@@H]3C(=O)O

DOS

IR

Vibrations