Geometry & MOs

Info

ID:	431942
PubChem CID:	135172069
Reduced:	O2N3C25H41 (1)
Stoich.:	A2B3C25D41 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	3.56
IP(EA), eV:	-8.06(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3CCN(C3)C

DOS

IR

Vibrations