Geometry & MOs

Info

ID:	89440
PubChem CID:	49961731
Reduced:	BrN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	454.05282
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	5.53
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(5-bromo-2,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Br)C=CC(=C2)N)N

DOS

IR

Vibrations