Geometry & MOs

Info

ID:	43137
PubChem CID:	10318895
Reduced:	ClSN3O3H16C19 (1)
Stoich.:	ABC3D3E16F19 (1)
Weight, g/mol:	401.161853
ΔH_f, kcal/mol:	-59.2
Dipole, Da:	3.28
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-chloro-2-(2-methoxyethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=CC=CC=C2N(C1=O)CC3=NC4=C(S3)C=C(C=C4)Cl

DOS

IR

Vibrations