Geometry & MOs

Info

ID:	425558
PubChem CID:	135126698
Reduced:	C4H5N5 (1)
Stoich.:	A4B5C5 (1)
Weight, g/mol:	604.240973
ΔH_f, kcal/mol:	104.23
Dipole, Da:	4.45
IP(EA), eV:	-9.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=NN2

DOS

IR

Vibrations