Geometry & MOs

Info

ID:	30551
PubChem CID:	841484
Reduced:	N4O5C14H14 (1)
Stoich.:	A4B5C14D14 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	6.71
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclooctyl-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

DOS

IR

Vibrations