Geometry & MOs

Info

ID:

186235

PubChem CID:

77406638

Reduced:

O3N7C41H47 (1)

Stoich.:

A3B7C41D47 (1)

Weight, g/mol:

472.264571

ΔHf, kcal/mol:

-16.06

Dipole, Da:

7.17

IP(EA), eV:

 -8.62(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-2-phenyl-1-[2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C2CCC(C2)C1C3=NCC(N3)C4=CC=C(C=C4)C5=CC6=C(C=C5)C=C(C=C6)C7=CN=C(N7)C8CC9(CC9)CN8)NC(=O)OC

DOS

IR

Vibrations