Geometry & MOs

Info

ID:	57084
PubChem CID:	22395316
Reduced:	ON3F6H15C20 (1)
Stoich.:	AB3C6D15E20 (1)
Weight, g/mol:	370.083268
ΔH_f, kcal/mol:	-274.11
Dipole, Da:	8.88
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-chloro-2-nitrophenyl)-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(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations