Geometry & MOs

Info

ID:	89938
PubChem CID:	49965456
Reduced:	SN3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	334.091769
ΔH_f, kcal/mol:	100.03
Dipole, Da:	5.69
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2,6-difluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

Drug info:

PubChemData

Smile

C=CCSC1=C(C=C2CN(CCC2=N1)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations