Geometry & MOs

Info

ID:	442761
PubChem CID:	135256106
Reduced:	ON4C13H13 (2)
Stoich.:	AB4C13D13 (2)
Weight, g/mol:	510.249172
ΔH_f, kcal/mol:	78.96
Dipole, Da:	7.55
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)NCCC(=O)O

DOS

IR

Vibrations