Geometry & MOs

Info

ID:	190177
PubChem CID:	77963164
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	390.13036
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	3.45
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-hydroxy-1-(5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)propyl]amino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C=NC=CC1=C(NC(=O)OC12CCNCC2)N

DOS

IR

Vibrations