Geometry & MOs

Info

ID:

430989

PubChem CID:

135171059

Reduced:

O6N13C48H53 (1)

Stoich.:

A6B13C48D53 (1)

Weight, g/mol:

429.241627

ΔHf, kcal/mol:

-21.82

Dipole, Da:

5.47

IP(EA), eV:

 -8.61(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=C(C=C4CN(C(=O)C4=C3)C)C5=CN(N=C5CNC(=O)C6=NN=C(C(=C6)C)N7CCC(CC7)OC8=CN=C(C=C8)OC)C)C(=O)NCC9=CC=NC=C9

DOS

IR

Vibrations