Geometry & MOs

Info

ID:	261155
PubChem CID:	103220490
Reduced:	FINCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	3.14
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=CC(=C(C=C2)I)Cl)NC

DOS

IR

Vibrations