Geometry & MOs

Info

ID:	57572
PubChem CID:	22425497
Reduced:	ClNSO3F4H18C26 (1)
Stoich.:	ABCD3E4F18G26 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	-234.17
Dipole, Da:	0.93
IP(EA), eV:	-8.85(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(4-methylphenyl)methyl]pyridazin-3-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F)OCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations