Geometry & MOs

Info

ID:	424376
PubChem CID:	135122455
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	4.31
IP(EA), eV:	-10.17(-1.31)
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 4-ethylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations