Geometry & MOs

Info

ID:	261141
PubChem CID:	103219453
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	5.39
IP(EA), eV:	-8.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=O)N(N=C1)CC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations