Geometry & MOs

Info

ID:

427077

PubChem CID:

135155380

Reduced:

BrN3F5O5C33H33 (1)

Stoich.:

AB3C5D5E33F33 (1)

Weight, g/mol:

409.272927

ΔHf, kcal/mol:

-406.75

Dipole, Da:

9.19

IP(EA), eV:

 -8.99(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methoxy-2,2-dimethyl-5-prop-1-en-2-yl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-benzo[h][1,6]naphthyridine

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)[C@@H](C(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations