Geometry & MOs

Info

ID:	224028
PubChem CID:	85337113
Reduced:	N2F4O4C23H26 (1)
Stoich.:	A2B4C4D23E26 (1)
Weight, g/mol:	470.1615
ΔH_f, kcal/mol:	-343.57
Dipole, Da:	2.74
IP(EA), eV:	-9.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methylphenyl)-5-methyl-4-[2-[6-oxo-5-[3-(5H-tetrazol-5-yl)phenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1COCC(N1C(=O)CC(CC2=CC=CC=C2F)N)CC3=CC=CC=C3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations