Geometry & MOs

Info

ID:	391154
PubChem CID:	135003188
Reduced:	FO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-amino-3-cyano-7-methoxy-4H-chromen-4-yl)propan-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCC3=CC=CC=C3C2=O)F

DOS

IR

Vibrations