Geometry & MOs

Info

ID:	187975
PubChem CID:	77649855
Reduced:	O3N7C23H31 (1)
Stoich.:	A3B7C23D31 (1)
Weight, g/mol:	507.220572
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	4.13
IP(EA), eV:	-8.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-propan-2-yl-7-(pyridin-2-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C(=N1)C(C)C)N=C(N=C2NC3=CC=CC=N3)N4CCCC(C4)C(=O)O

DOS

IR

Vibrations