Geometry & MOs

Info

ID:	254221
PubChem CID:	103123511
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	6.15
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(CCN1C(=C(N=N1)C(=O)O)C2CCNCC2)O

DOS

IR

Vibrations