Geometry & MOs

Info

ID:	6521
PubChem CID:	68804
Reduced:	ClN3O3C5H10 (1)
Stoich.:	AB3C3D5E10 (1)
Weight, g/mol:	195.041069
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	4.03
IP(EA), eV:	-10.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CO)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations