Geometry & MOs

Info

ID:

186788

PubChem CID:

77483152

Reduced:

ON5C10H11 (2)

Stoich.:

AB5C10D11 (2)

Weight, g/mol:

504.300145

ΔHf, kcal/mol:

91.63

Dipole, Da:

10.6

IP(EA), eV:

 -8.55(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[4-[5-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-2,3-dihydro-1H-imidazol-4-yl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

C1CC1NC2=NC(=NC3=C(C=NN32)C=C4C(=O)NC(=O)N4)NCC5(CC5)CN6C=CN=C6

DOS

IR

Vibrations