Geometry & MOs

Info

ID:	277339
PubChem CID:	103827955
Reduced:	BrON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	3.67
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)NCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations