Geometry & MOs

Info

ID:	424409
PubChem CID:	135122583
Reduced:	N4O5C26H34 (1)
Stoich.:	A4B5C26D34 (1)
Weight, g/mol:	565.290034
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	3.08
IP(EA), eV:	-9.49(-1.06)
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 3-(4-acetylpiperazine-1-carbonyl)benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCCOC(=O)C4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations