Geometry & MOs

Info

ID:	444319
PubChem CID:	135262072
Reduced:	ClO5N7C45H48 (1)
Stoich.:	AB5C7D45E48 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	9.64
IP(EA), eV:	-8.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(6-phenylmethoxyhexoxy)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=CNC8=O)C

DOS

IR

Vibrations