Geometry & MOs

Info

ID:	421514
PubChem CID:	135116153
Reduced:	N2O2F3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-206.9
Dipole, Da:	5.64
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-N'-(2-hydroxyethyl)-N'-[(5-methyl-1H-imidazol-4-yl)methyl]butanediamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCC(C3)C(=O)O

DOS

IR

Vibrations