Geometry & MOs

Info

ID:	318415
PubChem CID:	126651220
Reduced:	O5N7C27H39 (1)
Stoich.:	A5B7C27D39 (1)
Weight, g/mol:	317.093104
ΔH_f, kcal/mol:	-192.38
Dipole, Da:	1.35
IP(EA), eV:	-8.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-methyl-2-[(6-oxo-1H-pyridazin-3-yl)methoxy]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations