Geometry & MOs

Info

ID:	273796
PubChem CID:	103805051
Reduced:	N2O2F3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	264.144948
ΔH_f, kcal/mol:	-221.83
Dipole, Da:	3.15
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1N)C(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations