Geometry & MOs

Info

ID:	443936
PubChem CID:	135260606
Reduced:	O2N9H25C26 (1)
Stoich.:	A2B9C25D26 (1)
Weight, g/mol:	522.249172
ΔH_f, kcal/mol:	95.54
Dipole, Da:	4.52
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N)N5CCC[C@H]5C(=O)O

DOS

IR

Vibrations