Geometry & MOs

Info

ID:	155262
PubChem CID:	56324720
Reduced:	N4O6C25H34 (1)
Stoich.:	A4B6C25D34 (1)
Weight, g/mol:	440.149598
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	7.86
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations