Geometry & MOs

Info

ID:	57088
PubChem CID:	22395320
Reduced:	OSF3N3H14C17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	382.116486
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	9.94
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=C(C=CS3)C(F)(F)F

DOS

IR

Vibrations