Geometry & MOs

Info

ID:	10148
PubChem CID:	98167
Reduced:	Cl2O2N3C9H15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	267.054132
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	4.4
IP(EA), eV:	-10.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosourea

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)N(CCCl)N=O)Cl

DOS

IR

Vibrations