Geometry & MOs

Info

ID:

437012

PubChem CID:

135213725

Reduced:

N7O7C22H33 (1)

Stoich.:

A7B7C22D33 (1)

Weight, g/mol:

417.143053

ΔHf, kcal/mol:

-212.86

Dipole, Da:

2.55

IP(EA), eV:

 -9.21(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(2-aminoethylamino)methyl]-7-(dimethylcarbamoyl)-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC(=O)NC1=NN(C2=C1[C@@H]3CN([C@@H]2C(=O)N(C)C)C(=O)N3OCC=C)C

DOS

IR

Vibrations