Geometry & MOs

Info

ID:	157859
PubChem CID:	56437637
Reduced:	SF2N4O4C22H26 (1)
Stoich.:	AB2C4D4E22F26 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-211.75
Dipole, Da:	9.83
IP(EA), eV:	-9.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)S(=O)(=O)C3=CC4=C(CC3)C=C(C=C4)OC(F)F

DOS

IR

Vibrations