Geometry & MOs

Info

ID:	187537
PubChem CID:	77586377
Reduced:	N5O6C31H39 (1)
Stoich.:	A5B6C31D39 (1)
Weight, g/mol:	536.279884
ΔH_f, kcal/mol:	-178.25
Dipole, Da:	6.48
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CCOC5=CN=CC(=C5)C(=O)OC)O

DOS

IR

Vibrations