Geometry & MOs

Info

ID:

334144

PubChem CID:

127252696

Reduced:

N2O3C19H21 (2)

Stoich.:

A2B3C19D21 (2)

Weight, g/mol:

467.314792

ΔHf, kcal/mol:

-138.01

Dipole, Da:

10.53

IP(EA), eV:

 -8.1(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R,10R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N4CCC(=CC4)C5=CNC6=CC=CC=C65)OC)OC)OC

DOS

IR

Vibrations