Geometry & MOs

Info

ID:	424429
PubChem CID:	135122654
Reduced:	N4O5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	-149.28
Dipole, Da:	7.43
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCOC(=O)C4=COC=N4

DOS

IR

Vibrations