Geometry & MOs

Info

ID:	442743
PubChem CID:	135256074
Reduced:	O2N10H24C25 (1)
Stoich.:	A2B10C24D25 (1)
Weight, g/mol:	467.181821
ΔH_f, kcal/mol:	104.47
Dipole, Da:	5.99
IP(EA), eV:	-9.15(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations