Geometry & MOs

Info

ID:	205623
PubChem CID:	80128231
Reduced:	Br2F3H9C14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	331.01318
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	0.94
IP(EA), eV:	-9.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=C(C=C(C=C2F)Br)F)Br)F

DOS

IR

Vibrations