Geometry & MOs

Info

ID:	225948
PubChem CID:	87246469
Reduced:	ClS2N4O5C27H33 (1)
Stoich.:	AB2C4D5E27F33 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-172.25
Dipole, Da:	6.75
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)NC(=O)CCNC(=O)C(CC3=CC=CC=C3)S)CO)Cl

DOS

IR

Vibrations