Geometry & MOs

Info

ID:	147828
PubChem CID:	53787486
Reduced:	O2F3Cl4C19H19 (1)
Stoich.:	A2B3C4D19E19 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-257.88
Dipole, Da:	1.29
IP(EA), eV:	-9.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,3S)-1-(aminomethyl)-3-benzyl-3-tert-butylcyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C(CC=C(CC1=CC=C(C=C1)Cl)Cl)(C(C=C(Cl)Cl)C(F)(F)F)C(=O)O

DOS

IR

Vibrations