Geometry & MOs

Info

ID:	163331
PubChem CID:	57762598
Reduced:	NOYC20H20 (1)
Stoich.:	ABCD20E20 (1)
Weight, g/mol:	530.106055
ΔH_f, kcal/mol:	99.59
Dipole, Da:	14.09
IP(EA), eV:	-5.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-cyclopentyloxy-5-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)NC(C)CC#CC2=CC=[C-]C=C2.[Y]

DOS

IR

Vibrations