Geometry & MOs

Info

ID:

190778

PubChem CID:

78055701

Reduced:

ON6C22H30 (1)

Stoich.:

AB6C22D30 (1)

Weight, g/mol:

790.394165

ΔHf, kcal/mol:

47.79

Dipole, Da:

4.41

IP(EA), eV:

 -8.37(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[10-[acetyloxymethyl(methyl)amino]-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]-2-cyanoprop-2-enoyl]oxyethyl 3-[10-[acetyloxymethyl(methyl)amino]-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NC3=CN(N=C3)CC4=CC(=CC=C4)CN5CCC5

DOS

IR

Vibrations