Geometry & MOs

Info

ID:	415254
PubChem CID:	135088246
Reduced:	FN5O5C37H44 (1)
Stoich.:	AB5C5D37E44 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-226.3
Dipole, Da:	6.15
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations