Geometry & MOs

Info

ID:	416558
PubChem CID:	135089678
Reduced:	FN4O4C18H21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	4.15
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(1R)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations