Geometry & MOs

Info

ID:	426151
PubChem CID:	135141435
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-93.09
Dipole, Da:	3.42
IP(EA), eV:	-8.91(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-ethylspiro[4,5,6,8-tetrahydropyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1CCC(CN1)OCC2NCCO2

DOS

IR

Vibrations