Geometry & MOs

Info

ID:	261644
PubChem CID:	103243172
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	303.02702
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	7.08
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-bromo-2-fluorophenyl)methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNCC(=C)C(=O)O)N(C)C

DOS

IR

Vibrations