Geometry & MOs

Info

ID:	189221
PubChem CID:	77828820
Reduced:	N2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	481.21322
ΔH_f, kcal/mol:	26.91
Dipole, Da:	5.17
IP(EA), eV:	-9.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)propyl]-N-[2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-hydroxypent-4-enamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(C#N)NCC4=CC=CC=C4

DOS

IR

Vibrations