Geometry & MOs

Info

ID:	342508
PubChem CID:	127265663
Reduced:	ClFNO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	3.03
IP(EA), eV:	-9.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopropylbut-2-enoylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC(CC(=O)O)C1=CC(=C(C=C1)Cl)F

DOS

IR

Vibrations