Geometry & MOs

Info

ID:	442735
PubChem CID:	135256012
Reduced:	O3N8C24H26 (1)
Stoich.:	A3B8C24D26 (1)
Weight, g/mol:	468.202222
ΔH_f, kcal/mol:	57.83
Dipole, Da:	4.94
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[1-[(6-tert-butylpyridin-2-yl)methyl]triazol-4-yl]-6-(3-cyanophenyl)pyrimidin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

COCCOCC1=CC=CC(=N1)CN=C/C(=N\N)/C2=NC(=NC(=C2)C3=CC=CC(=C3OC)C#N)N

DOS

IR

Vibrations