Geometry & MOs

Info

ID:	442803
PubChem CID:	135256289
Reduced:	N2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	565.254986
ΔH_f, kcal/mol:	43.3
Dipole, Da:	3.06
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-[[4-[6-(3-cyanophenyl)-2-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]piperidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC3=C(CCCC3)C(=C2)C4=C(C=NN4C)NC1=C)N

DOS

IR

Vibrations