Geometry & MOs

Info

ID:	73702
PubChem CID:	48420046
Reduced:	ClN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	7.55
IP(EA), eV:	-9.55(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-3-(1,3-dioxoisoindol-5-yl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)Cl

DOS

IR

Vibrations