Geometry & MOs

Info

ID:	376643
PubChem CID:	134222664
Reduced:	O2N3C34H41 (1)
Stoich.:	A2B3C34D41 (1)
Weight, g/mol:	525.310376
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	3.8
IP(EA), eV:	-8.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=N2)NC(=O)CC3CCC(CC3)N(C)C(=O)C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations