Geometry & MOs

Info

ID:	380154
PubChem CID:	134965189
Reduced:	O2F3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-218.36
Dipole, Da:	6.45
IP(EA), eV:	-10.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-ethyl-2-phenylpentanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OC2=O)CC(F)(F)F

DOS

IR

Vibrations