Geometry & MOs

Info

ID:	425522
PubChem CID:	135126608
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	522.28422
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	6.94
IP(EA), eV:	-9.37(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-8-oxospiro[6,7-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]-3-yl)propyl 3-(piperidine-1-carbonyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@@H](C)COC(=O)C4=CC=C(C=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations