Geometry & MOs

Info

ID:	422901
PubChem CID:	135118587
Reduced:	NF4O4H13C15 (1)
Stoich.:	AB4C4D13E15 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-324.01
Dipole, Da:	7.49
IP(EA), eV:	-9.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)CC3=C(C(=CC=C3)F)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations