Geometry & MOs

Info

ID:	261192
PubChem CID:	103221887
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	351.03825
ΔH_f, kcal/mol:	27.51
Dipole, Da:	5.28
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

C1CC1CNC2=CC(=O)N(N=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations