Geometry & MOs

Info

ID:	121288
PubChem CID:	50762075
Reduced:	BrN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	7.07
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations