Geometry & MOs

Info

ID:

37052

PubChem CID:

8016423

Reduced:

NO6C22H24 (1)

Stoich.:

AB6C22D24 (1)

Weight, g/mol:

387.194677

ΔHf, kcal/mol:

-239.17

Dipole, Da:

7.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758650

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-2-acetyl-1'-(2-methylpropyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=C3CCC(OC3=C2)(C)C)CC(=O)N4CCC[C@@H]4C(=O)[O-]

DOS

IR

Vibrations