Geometry & MOs

Info

ID:	133712
PubChem CID:	51578613
Reduced:	N3O6H23C26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	299.095116
ΔH_f, kcal/mol:	-55.78
Dipole, Da:	7.68
IP(EA), eV:	-8.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-chloro-2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]phenolate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations