Geometry & MOs

Info

ID:	262048
PubChem CID:	103267291
Reduced:	BrNO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	253.128963
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	2.13
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3,3-dimethylcyclopentyl)amino]methyl]-3,3,3-trifluoropropanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(C1)NCC(C(=O)OC)Br)C

DOS

IR

Vibrations