Geometry & MOs

Info

ID:

319618

PubChem CID:

126656810

Reduced:

NOC11H15 (2)

Stoich.:

ABC11D15 (2)

Weight, g/mol:

423.252192

ΔHf, kcal/mol:

-80.06

Dipole, Da:

1.5

IP(EA), eV:

 -8.14(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl (1R,16R,17S)-17-ethyl-7-hydroxy-16-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,14-pentaene-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H](CN2C1[C@H](C3=C(CC2)C4=C(N3)C=CC(=C4)OC(=O)C)C)C

DOS

IR

Vibrations