Geometry & MOs

Info

ID:	424391
PubChem CID:	135122518
Reduced:	N4O5C28H38 (1)
Stoich.:	A4B5C28D38 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-196.41
Dipole, Da:	9.98
IP(EA), eV:	-9.37(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)spiro[6,7-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]-8-one

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4=CC=CC(=C4)C(=O)NCC

DOS

IR

Vibrations