Geometry & MOs

Info

ID:	298910
PubChem CID:	117664311
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	5.31
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]-1H-indole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C/C2CCCCC2)OC

DOS

IR

Vibrations