Geometry & MOs

Info

ID:	214056
PubChem CID:	81066060
Reduced:	BrF2N2O3C13H15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-215.59
Dipole, Da:	3.16
IP(EA), eV:	-9.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(heptanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=C(C=C(C=C1Br)F)F

DOS

IR

Vibrations