Geometry & MOs

Info

ID:	219347
PubChem CID:	85145944
Reduced:	NO3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-245.85
Dipole, Da:	2.62
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-(2,3-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-3H-pyridazine-6-thione

Drug info:

PubChemData

Smile

COC(=O)CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)OC)N

DOS

IR

Vibrations