Geometry & MOs

Info

ID:	327657
PubChem CID:	126690657
Reduced:	BrN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	622.258006
ΔH_f, kcal/mol:	57.41
Dipole, Da:	1.82
IP(EA), eV:	-7.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-hydroxyethyl-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamoyl]phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C/C=C/C(=C\C1=C(C=CN1CC2CC2)N)/Br

DOS

IR

Vibrations