Geometry & MOs

Info

ID:	10055
PubChem CID:	96585
Reduced:	ClO2N3C6H7 (2)
Stoich.:	AB2C3D6E7 (2)
Weight, g/mol:	376.045358
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	3.18
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations