Geometry & MOs

Info

ID:	272527
PubChem CID:	103744532
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	20.76
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CNCCC2=NC=NO2)C

DOS

IR

Vibrations