Geometry & MOs

Info

ID:	169187
PubChem CID:	75072319
Reduced:	O10H22C23 (1)
Stoich.:	A10B22C23 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-380.26
Dipole, Da:	3.47
IP(EA), eV:	-9.34(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxy-5-phenyl-3,4-dihydropyrazol-2-yl)ethylideneamino] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)OC(=O)C)O)O

DOS

IR

Vibrations