Geometry & MOs

Info

ID:	254211
PubChem CID:	103123425
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	7.82
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[5-(1-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethanamine

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2CC3=COC=C3)C(=O)O

DOS

IR

Vibrations