Geometry & MOs

Info

ID:	372547
PubChem CID:	131299554
Reduced:	INH2O2F4C7 (1)
Stoich.:	ABC2D2E4F7 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-159.57
Dipole, Da:	2.8
IP(EA), eV:	-10.54(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)butanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])I)C(F)(F)F)F

DOS

IR

Vibrations