Geometry & MOs

Info

ID:	351579
PubChem CID:	127280471
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-105.04
Dipole, Da:	3.61
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations