Geometry & MOs

Info

ID:	424481
PubChem CID:	135122844
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	-159.31
Dipole, Da:	6.65
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-ethyl-8-oxospiro[6,7-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]-3-yl)propoxycarbonyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCOC(=O)C4=CN=C(O4)C

DOS

IR

Vibrations