Geometry & MOs

Info

ID:	174620
PubChem CID:	75794419
Reduced:	FN2O5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	4.83
IP(EA), eV:	-10.06(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylphenyl)-4,5-dioxo-1-(2-piperidin-1-ium-1-ylethyl)pyrrolidin-3-ylidene]-(1,3,5-trimethylpyrazol-4-yl)methanolate

Drug info:

PubChemData

Smile

CN1C(C(=C(C2=CC=C(C=C2)F)O)C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations