Geometry & MOs

Info

ID:	77504
PubChem CID:	49649826
Reduced:	N2O5H16C20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	7.8
IP(EA), eV:	-10.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazol-5-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations