Geometry & MOs

Info

ID:	280849
PubChem CID:	103851585
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	19.07
Dipole, Da:	3.73
IP(EA), eV:	-8.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCOC2=CC=C(C=C2)Br

DOS

IR

Vibrations