Geometry & MOs

Info

ID:

169231

PubChem CID:

75076548

Reduced:

FO4N6H13C15 (1)

Stoich.:

AB4C6D13E15 (1)

Weight, g/mol:

532.177298

ΔHf, kcal/mol:

10.34

Dipole, Da:

9.25

IP(EA), eV:

 -9.91(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[bis(2-chloroethyl)amino-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl)oxy]phosphoryl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN(N=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations