Geometry & MOs

Info

ID:

425923

PubChem CID:

135131886

Reduced:

F3O3C19H25 (1)

Stoich.:

A3B3C19D25 (1)

Weight, g/mol:

469.284161

ΔHf, kcal/mol:

-299.37

Dipole, Da:

5.1

IP(EA), eV:

 -9.57(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aR,7R,10aR)-2-[2-ethyl-3-[(Z)-prop-1-enyl]pyridin-4-yl]-8-hydroxy-7,10a-dimethyl-4-pyrrolidin-1-yl-6,6a,7,10-tetrahydro-5H-benzo[h]quinazoline-9-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](CCC1CCOCC1)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations