Geometry & MOs

Info

ID:	424473
PubChem CID:	135122814
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	1.84
IP(EA), eV:	-10.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CN=C(N=C1)C

DOS

IR

Vibrations