Geometry & MOs

Info

ID:	51138
PubChem CID:	12013762
Reduced:	N2O5H28C34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	619.247107
ΔH_f, kcal/mol:	16.28
Dipole, Da:	1.18
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxyphenyl)-1,5-diphenylpyrazol-4-yl]-[3-(4-methoxyphenyl)-4-methyl-5-phenyl-5H-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(ON=C1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)C4=C(ON=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations