Geometry & MOs

Info

ID:	423531
PubChem CID:	135119678
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-131.29
Dipole, Da:	5.88
IP(EA), eV:	-9.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)CCC3=CC=NC=C3

DOS

IR

Vibrations