Geometry & MOs

Info

ID:	121287
PubChem CID:	50762074
Reduced:	FN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	429.0688
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	7.75
IP(EA), eV:	-8.58(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea

Drug info:

PubChemData

Smile

CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)NC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations