Geometry & MOs

Info

ID:	424428
PubChem CID:	135122653
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	5.86
IP(EA), eV:	-9.47(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)ethyl 1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=NS4

DOS

IR

Vibrations