Geometry & MOs

Info

ID:	57109
PubChem CID:	22395350
Reduced:	BrN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	354.112819
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	3.15
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-4-(4-fluoro-3-nitrophenyl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)OC)OC

DOS

IR

Vibrations