Geometry & MOs

Info

ID:

83622

PubChem CID:

49859182

Reduced:

NO8H35C36 (1)

Stoich.:

AB8C35D36 (1)

Weight, g/mol:

387.08339

ΔHf, kcal/mol:

-91.01

Dipole, Da:

12.02

IP(EA), eV:

 -7.74(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R)-4'-bromo-1'-(cyclopropylmethyl)-3-methylspiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyran-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@H]2CON=C3[C@@H]([C@H](OC4=C3C=C(C=C4)OC)C5=CC(=CC=C5)OC)O)C6=CC=CC=C6

DOS

IR

Vibrations