Geometry & MOs

Info

ID:	197739
PubChem CID:	78990668
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	83.59
Dipole, Da:	7.95
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC2=NC=C(C=C2)C#N

DOS

IR

Vibrations