Geometry & MOs

Info

ID:	424369
PubChem CID:	135122419
Reduced:	N4O5C26H34 (1)
Stoich.:	A4B5C26D34 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-176.37
Dipole, Da:	8.2
IP(EA), eV:	-9.57(-1.0)
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-(methylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations