Geometry & MOs

Info

ID:	8139
PubChem CID:	75093
Reduced:	NCl2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	261.032334
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	2.24
IP(EA), eV:	-9.21(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=O)N(CCCl)CCCl

DOS

IR

Vibrations