Geometry & MOs

Info

ID:	431557
PubChem CID:	135171645
Reduced:	O5C31H40 (1)
Stoich.:	A5B31C40 (1)
Weight, g/mol:	460.224119
ΔH_f, kcal/mol:	-169.67
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(6-chloropyridazin-3-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCCOCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)CCC[C@@H]([C@@H](C)O)C(=O)OC

DOS

IR

Vibrations