Geometry & MOs

Info

ID:	31184
PubChem CID:	855045
Reduced:	N2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	314.095269
ΔH_f, kcal/mol:	65.52
Dipole, Da:	10.21
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclooctyl-3-(3,4-dichlorophenyl)urea

Drug info:

PubChemData

Smile

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4C[C@@H](C[C@H](C4)C)C)C#N

DOS

IR

Vibrations