Geometry & MOs

Info

ID:	10346
PubChem CID:	100735
Reduced:	ClO2N3C5H9 (2)
Stoich.:	AB2C3D5E9 (2)
Weight, g/mol:	356.076659
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	6.33
IP(EA), eV:	-10.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-1-nitrosourea

Drug info:

PubChemData

Smile

C(CCNC(=O)N(CCCl)N=O)CNC(=O)N(CCCl)N=O

DOS

IR

Vibrations