Geometry & MOs

Info

ID:	424430
PubChem CID:	135122655
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	5.97
IP(EA), eV:	-9.48(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCC(=O)N4CCC(CC4)C(=O)O

DOS

IR

Vibrations