Geometry & MOs

Info

ID:	125009
PubChem CID:	50907271
Reduced:	ClOH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	582.155224
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	3.23
IP(EA), eV:	-10.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl)C=O

DOS

IR

Vibrations