Geometry & MOs

Info

ID:	55761
PubChem CID:	17396452
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	469.199301
ΔH_f, kcal/mol:	12.63
Dipole, Da:	3.98
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

DOS

IR

Vibrations