Geometry & MOs

Info

ID:	373259
PubChem CID:	131312307
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	4.11
IP(EA), eV:	-9.56(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(NCC1)C#N

DOS

IR

Vibrations