Geometry & MOs

Info

ID:	155050
PubChem CID:	56320466
Reduced:	FO2N5C26H30 (1)
Stoich.:	AB2C5D26E30 (1)
Weight, g/mol:	454.201634
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	3.34
IP(EA), eV:	-7.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations