Geometry & MOs

Info

ID:	123176
PubChem CID:	50836474
Reduced:	FO3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(4-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=NOC(=N3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations