Geometry & MOs

Info

ID:	437216
PubChem CID:	135216049
Reduced:	FN6C28H33 (1)
Stoich.:	AB6C28D33 (1)
Weight, g/mol:	401.178076
ΔH_f, kcal/mol:	47.31
Dipole, Da:	3.44
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[4-(aminomethyl)-3-fluorophenyl]-1-methylphosphanylpyrazolo[3,4-b]pyridin-3-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CNCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N[C@@H]5CCNC5)F

DOS

IR

Vibrations