Geometry & MOs

Info

ID:	57087
PubChem CID:	22395319
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	365.080968
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	4.11
IP(EA), eV:	-8.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)thiophen-2-yl]-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)OC)OC

DOS

IR

Vibrations