Geometry & MOs

Info

ID:	261132
PubChem CID:	103219116
Reduced:	O2F3N4C10H13 (1)
Stoich.:	A2B3C4D10E13 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-218.41
Dipole, Da:	6.48
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylamino)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCNC1=CC(=O)N(N=C1)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations