Geometry & MOs

Info

ID:	373220
PubChem CID:	131311783
Reduced:	FN2O3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	208.040341
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	3.56
IP(EA), eV:	-11.22(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-7-chloro-3,4-dihydro-1H-isochromene-6-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CO)F)C#N)[N+](=O)[O-]

DOS

IR

Vibrations