Geometry & MOs

Info

ID:	369595
PubChem CID:	127334841
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	20.52
Dipole, Da:	10.96
IP(EA), eV:	-8.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-oxo-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NCC4CCCN4C5=NN=CC=C5

DOS

IR

Vibrations