Geometry & MOs

Info

ID:	272847
PubChem CID:	103761952
Reduced:	ClFNO2C13H19 (1)
Stoich.:	ABCD2E13F19 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	2.06
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(CCOC)(CNCC1=C(C(=CC=C1)Cl)F)O

DOS

IR

Vibrations