Geometry & MOs

Info

ID:	262033
PubChem CID:	103266931
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	4.95
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNCC(=C)C(=O)O)C

DOS

IR

Vibrations