Geometry & MOs

Info

ID:	249722
PubChem CID:	103091607
Reduced:	ClSN3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	31.35
Dipole, Da:	4.42
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(6-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C(N=C(S1)N(C)C)Cl)N

DOS

IR

Vibrations