Geometry & MOs

Info

ID:	124479
PubChem CID:	50884863
Reduced:	N2O5H16C22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	650.139
ΔH_f, kcal/mol:	15.64
Dipole, Da:	1.69
IP(EA), eV:	-9.24(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-diethoxy-5-iodophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NOC3=O)C4=CC=CC=C4

DOS

IR

Vibrations