Geometry & MOs

Info

ID:	57081
PubChem CID:	22395312
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	444.168522
ΔH_f, kcal/mol:	58.83
Dipole, Da:	8.34
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-7-(dimethylamino)-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=NC=CN3

DOS

IR

Vibrations