Geometry & MOs

Info

ID:	8937
PubChem CID:	83809
Reduced:	ClO2N3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	317.187005
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	4.89
IP(EA), eV:	-10.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations