Geometry & MOs

Info

ID:	57075
PubChem CID:	22395304
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	36.28
Dipole, Da:	6.2
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(1,3-benzodioxol-4-yl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)CCl

DOS

IR

Vibrations