Geometry & MOs

Info

ID:	447522
PubChem CID:	135283578
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	3.03
IP(EA), eV:	-9.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-aminopyridin-3-yl)-2-tert-butylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations