Geometry & MOs

Info

ID:	442776
PubChem CID:	135256186
Reduced:	ON9H23C24 (1)
Stoich.:	AB9C23D24 (1)
Weight, g/mol:	468.202222
ΔH_f, kcal/mol:	130.85
Dipole, Da:	6.38
IP(EA), eV:	-9.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1(C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N)O

DOS

IR

Vibrations