Geometry & MOs

Info

ID:	123345
PubChem CID:	50843644
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	20.13
Dipole, Da:	3.96
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)-2-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCC3=NC(=NO3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations