Geometry & MOs

Info

ID:	351620
PubChem CID:	127280512
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	399.201888
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCC4=O

DOS

IR

Vibrations