Geometry & MOs

Info

ID:	396950
PubChem CID:	135029500
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	477.097228
ΔH_f, kcal/mol:	7.35
Dipole, Da:	5.83
IP(EA), eV:	-8.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]methylidene]-1-(3-nitrophenyl)-5-oxopyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2N(C3=CC=CC=C3C(=O)N2C4=CC=CC=C41)C)C

DOS

IR

Vibrations