Geometry & MOs

Info

ID:	447542
PubChem CID:	135283715
Reduced:	BrClFO3N4H13C14 (1)
Stoich.:	ABCD3E4F13G14 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	5.41
IP(EA), eV:	-9.74(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NCC(=O)NC3=C(C(=C(C=C32)Cl)Br)F)C(=O)O

DOS

IR

Vibrations