Geometry & MOs

Info

ID:	271208
PubChem CID:	103647871
Reduced:	NOSBr2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	15.45
Dipole, Da:	3.61
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCC2=C(C=CS2)Br)O

DOS

IR

Vibrations