Geometry & MOs

Info

ID:	187974
PubChem CID:	77649854
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	453.248838
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	2.73
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CNC1)CC(COC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=NC=C5

DOS

IR

Vibrations