Geometry & MOs

Info

ID:	424427
PubChem CID:	135122638
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	418.167477
ΔH_f, kcal/mol:	-118.92
Dipole, Da:	5.4
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)propyl 1,2-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N)C=C(C1=O)OCC(=O)OC

DOS

IR

Vibrations