Geometry & MOs

Info

ID:	10054
PubChem CID:	96584
Reduced:	ClO2N3C6H10 (2)
Stoich.:	AB2C3D6E10 (2)
Weight, g/mol:	382.092309
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	6.1
IP(EA), eV:	-10.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations