Geometry & MOs

Info

ID:	392715
PubChem CID:	135017728
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	4.22
IP(EA), eV:	-9.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R,8R)-4-[(4-cyanophenyl)methyl]-6-hydroxy-3-oxo-2-phenyl-5,6,7,8-tetrahydropyrrolizin-4-ium-1-olate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H](C(=O)N2C1)[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations