Geometry & MOs

Info

ID:

431043

PubChem CID:

135171113

Reduced:

ON4C23H27 (2)

Stoich.:

AB4C23D27 (2)

Weight, g/mol:

430.236876

ΔHf, kcal/mol:

33.35

Dipole, Da:

1.85

IP(EA), eV:

 -8.92(-0.74)

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-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(N4)C(=O)N(CC)[C@H]5CCC[C@H](C5)NCC6=CC=CC=C6)C(=O)C7=CC8=C(N7)C=CC=N8

DOS

IR

Vibrations