Geometry & MOs

Info

ID:	151434
PubChem CID:	53801271
Reduced:	SN3O8H29C34 (1)
Stoich.:	AB3C8D29E34 (1)
Weight, g/mol:	423.22887
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	4.32
IP(EA), eV:	-9.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-chloro-5-[2-(diethylamino)ethoxy]-4-(1-phenylethoxy)-4H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C=CC(=O)C5=CC=CC=C5)SC1)C(=O)O

DOS

IR

Vibrations