Geometry & MOs

Info

ID:

219070

PubChem CID:

85090437

Reduced:

N4O7C28H42 (1)

Stoich.:

A4B7C28D42 (1)

Weight, g/mol:

546.276154

ΔHf, kcal/mol:

-343.17

Dipole, Da:

1.59

IP(EA), eV:

 -9.54(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(3-chlorophenyl)-2-[[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropyl]methyl]-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations