Geometry & MOs

Info

ID:	291375
PubChem CID:	112178165
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	429.154323
ΔH_f, kcal/mol:	34.05
Dipole, Da:	3.38
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine

Drug info:

PubChemData

Smile

C/C=C/CCNC(=NC)N(C)CC1=CC2=CC=CC=C2O1

DOS

IR

Vibrations