Geometry & MOs

Info

ID:	43778
PubChem CID:	10321780
Reduced:	N5O6C22H25 (1)
Stoich.:	A5B6C22D25 (1)
Weight, g/mol:	455.214424
ΔH_f, kcal/mol:	-208.56
Dipole, Da:	12.86
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-methyl-1-[6-(2-propan-2-ylidenehydrazinyl)pyridazin-3-yl]oxypropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations