Geometry & MOs

Info

ID:	205537
PubChem CID:	80118270
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	3.17
IP(EA), eV:	-8.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]methyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)OC)NC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations