Geometry & MOs

Info

ID:	208533
PubChem CID:	80540836
Reduced:	F2N2O3C12H14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-211.61
Dipole, Da:	6.18
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)NC1=C(C(=CC=C1)F)F)C(=O)O

DOS

IR

Vibrations