Geometry & MOs

Info

ID:	329266
PubChem CID:	126733512
Reduced:	ClO2N3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	350.06943
ΔH_f, kcal/mol:	-77.85
Dipole, Da:	5.71
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1(CCCC1)C)NC2=NC(=NC=C2CC=C)Cl

DOS

IR

Vibrations