Geometry & MOs

Info

ID:	261227
PubChem CID:	103223707
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	276.169859
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	6.79
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CCOCCN1C(=O)C=C(C=N1)NCCNC

DOS

IR

Vibrations