Geometry & MOs

Info

ID:	283592
PubChem CID:	103991449
Reduced:	ClNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	304.089102
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	2.51
IP(EA), eV:	-9.31(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC[C@@H](C)O)Cl

DOS

IR

Vibrations