Geometry & MOs

Info

ID:	134375
PubChem CID:	51687524
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	4.47
IP(EA), eV:	-8.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C(=O)N2)[C@@H]3C4=CC(=C(C=C4CCN3)OC)OC

DOS

IR

Vibrations