Geometry & MOs

Info

ID:

296750

PubChem CID:

117591377

Reduced:

O8C45H62 (1)

Stoich.:

A8B45C62 (1)

Weight, g/mol:

671.204417

ΔHf, kcal/mol:

-372.31

Dipole, Da:

6.38

IP(EA), eV:

 -9.05(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC.CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C

DOS

IR

Vibrations