Geometry & MOs

Info

ID:	254241
PubChem CID:	103123635
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	41.17
Dipole, Da:	6.1
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CNCC1=C(OC=N1)C2=NN(C=C2)C

DOS

IR

Vibrations