Geometry & MOs

Info

ID:	161871
PubChem CID:	57392899
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	55.5
Dipole, Da:	2.47
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5S)-N-hydroxy-5-(4-hydroxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C3CC(O2)C=C3

DOS

IR

Vibrations