Geometry & MOs

Info

ID:	344636
PubChem CID:	127268221
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	38.07
Dipole, Da:	2.16
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[(4-pyridazin-3-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC1C(C2CC2)NC(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations