Geometry & MOs

Info

ID:	263435
PubChem CID:	103366786
Reduced:	NO2F3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	320.0136
ΔH_f, kcal/mol:	-265.81
Dipole, Da:	2.89
IP(EA), eV:	-9.73(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

C1COCCC1OCC(CN)C(F)(F)F

DOS

IR

Vibrations