Geometry & MOs

Info

ID:

296754

PubChem CID:

117591431

Reduced:

ClO5N6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

622.248889

ΔHf, kcal/mol:

-115.77

Dipole, Da:

6.38

IP(EA), eV:

 -9.17(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations