Geometry & MOs

Info

ID:	49417
PubChem CID:	11532996
Reduced:	ClN2O3H27C28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	474.203383
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	7.12
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-[2-[[2-hydroxy-3-[3-(propylamino)phenoxy]propyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)C#CC2=NC=C(C=C2)C3=CC=C(C=C3)Cl)OCCN4CCC[C@H]4CO

DOS

IR

Vibrations