Geometry & MOs

Info

ID:	59612
PubChem CID:	24890416
Reduced:	ClO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	450.195029
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	3.82
IP(EA), eV:	-9.31(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(O1)C(CC(=C)Cl)O

DOS

IR

Vibrations