Geometry & MOs

Info

ID:	10385
PubChem CID:	101391
Reduced:	ClO2N3C4H8 (1)
Stoich.:	AB2C3D4E8 (1)
Weight, g/mol:	165.030504
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	2.03
IP(EA), eV:	-10.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=O)NCCCl)N=O

DOS

IR

Vibrations