Geometry & MOs

Info

ID:	164351
PubChem CID:	74386079
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	492.203605
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	6.37
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2,4-difluorophenyl)methyl]-2-methyl-2H-imidazol-1-yl]ethyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CNC3C(C2=O)C(=O)NN3C4=CC=CC=C4

DOS

IR

Vibrations