Geometry & MOs

Info

ID:	202637
PubChem CID:	79702532
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	329.04267
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	5.61
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-bromo-5-fluorophenyl)methylamino]methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(CC1CCNCC1)C(=O)C2=C(C=C(C=C2)Br)O

DOS

IR

Vibrations