Geometry & MOs

Info

ID:	268387
PubChem CID:	103599216
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	46.23
Dipole, Da:	8.81
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)NCCCCN4C=CC=CC4=O

DOS

IR

Vibrations