Geometry & MOs

Info

ID:	297137
PubChem CID:	117610171
Reduced:	O4N8C19H20 (1)
Stoich.:	A4B8C19D20 (1)
Weight, g/mol:	392.10731
ΔH_f, kcal/mol:	12.39
Dipole, Da:	3.02
IP(EA), eV:	-9.56(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl] hypoiodite

Drug info:

PubChemData

Smile

C1CN(CCC12C=CN(C2=O)C3=CC(=O)OC3)C[C@@H](C4=NN=C(C=C4)N5C=NN=N5)O

DOS

IR

Vibrations