Geometry & MOs

Info

ID:	1187
PubChem CID:	3950
Reduced:	ClO2N3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	233.093105
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	4.9
IP(EA), eV:	-10.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations