Geometry & MOs

Info

ID:

376867

PubChem CID:

134222896

Reduced:

FO4N9H28C29 (1)

Stoich.:

AB4C9D28E29 (1)

Weight, g/mol:

393.230394

ΔHf, kcal/mol:

-54.96

Dipole, Da:

10.59

IP(EA), eV:

 -8.52(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,5R,14R,15S)-4-(cyclopropylmethyl)-14-methoxy-10-methyl-12-oxa-4-azahexacyclo[9.6.1.114,17.01,13.05,17.07,18]nonadeca-7(18),8,10-trien-15-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(N(N1)C2=CC=CC(=C2)NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F)O

DOS

IR

Vibrations