Geometry & MOs

Info

ID:	9635
PubChem CID:	91804
Reduced:	ClN3O3C9H16 (1)
Stoich.:	AB3C3D9E16 (1)
Weight, g/mol:	249.088019
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	3.06
IP(EA), eV:	-10.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations