Geometry & MOs

Info

ID:	315197
PubChem CID:	126624876
Reduced:	FN5C20H26 (1)
Stoich.:	AB5C20D26 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	31.67
Dipole, Da:	1.91
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclooctyl-3-(cyclooctylcarbamoyl)urea

Drug info:

PubChemData

Smile

C[C@H](C1CC1)NC2=NC(=NC(=N2)C3=CC=CC=C3F)NC(C)(C)C4CC4

DOS

IR

Vibrations