Geometry & MOs

Info

ID:	11799
PubChem CID:	121167
Reduced:	OCl2N2C8H14 (2)
Stoich.:	AB2C2D8E14 (2)
Weight, g/mol:	450.093687
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	7.29
IP(EA), eV:	-9.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-chloroethyl)amino]-1-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN(CCCl)CCCl)C(=O)CN(CCCl)CCCl

DOS

IR

Vibrations