Geometry & MOs

Info

ID:	442757
PubChem CID:	135256101
Reduced:	F2N7H13C20 (1)
Stoich.:	A2B7C13D20 (1)
Weight, g/mol:	522.249172
ΔH_f, kcal/mol:	86.0
Dipole, Da:	6.71
IP(EA), eV:	-9.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-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

C1=CC(=CC(=C1)C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=C(C=C(C=C4)F)F)C#N

DOS

IR

Vibrations