Geometry & MOs

Info

ID:	442711
PubChem CID:	135255920
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	468.202222
ΔH_f, kcal/mol:	0.71
Dipole, Da:	2.86
IP(EA), eV:	-9.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2(CCOC2)CC#N

DOS

IR

Vibrations