Geometry & MOs

Info

ID:	449797
PubChem CID:	135301583
Reduced:	F3O3C7H9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	438.216809
ΔH_f, kcal/mol:	-302.33
Dipole, Da:	1.81
IP(EA), eV:	-10.67(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[[5-[(3Z)-3-pyrrolo[3,2-c]pyridin-2-ylidene-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1C[C@H](OC[C@@H]1C(F)(F)F)C(=O)O

DOS

IR

Vibrations