Geometry & MOs

Info

ID:

59337

PubChem CID:

24811786

Reduced:

N7C18H25 (1)

Stoich.:

A7B18C25 (1)

Weight, g/mol:

609.262757

ΔHf, kcal/mol:

108.48

Dipole, Da:

4.55

IP(EA), eV:

 -8.32(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[4-(dimethylamino)phenyl]methyl]-6-(2,2-dimethylpropanoyloxy)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@H](C)NC1=NN2C=CC=C2C(=N1)NC3=NNC(=C3)C4CC4

DOS

IR

Vibrations