Geometry & MOs

Info

ID:	437245
PubChem CID:	135217434
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	384.073766
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	5.04
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C(\C1=C(C=C2C(=C1)C=CC(=O)N2CC3=CC=CC=N3)OCCN(C)C)/C(=O)C)/N

DOS

IR

Vibrations