Geometry & MOs

Info

ID:	443928
PubChem CID:	135260580
Reduced:	N2H5C7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	509.228771
ΔH_f, kcal/mol:	154.45
Dipole, Da:	2.96
IP(EA), eV:	-9.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[1-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=NC(=CC(=N1)C2=CC=CC(=C2)C#N)C#C

DOS

IR

Vibrations