Geometry & MOs

Info

ID:	57110
PubChem CID:	22395351
Reduced:	FO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	548.10592
ΔH_f, kcal/mol:	0.41
Dipole, Da:	7.28
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations