Geometry & MOs

Info

ID:	187529
PubChem CID:	77585263
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	584.281027
ΔH_f, kcal/mol:	50.71
Dipole, Da:	3.67
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[3-(difluoromethoxy)phenoxy]ethyl]piperazin-1-yl]-[1-[2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations