Geometry & MOs

Info

ID:	424480
PubChem CID:	135122841
Reduced:	OCl3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	2.88
IP(EA), eV:	-10.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CCCCCO)CCCCC(C(Cl)Cl)Cl

DOS

IR

Vibrations