Geometry & MOs

Info

ID:	34641
PubChem CID:	7978767
Reduced:	Cl2O3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	390.109483
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	7.72
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)Cl

DOS

IR

Vibrations