Geometry & MOs

Info

ID:	326242
PubChem CID:	126687220
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	360.126551
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	4.99
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-cyclohexylhydrazine

Drug info:

PubChemData

Smile

C1CC1CCC[C@@H]2CN(C[C@@H]2CO)CC(=O)C3=NC=C(C=C3)O

DOS

IR

Vibrations