Geometry & MOs

Info

ID:	424383
PubChem CID:	135122483
Reduced:	N5O5C31H43 (1)
Stoich.:	A5B5C31D43 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	3.72
IP(EA), eV:	-8.74(-0.91)
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 2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4=CC=CC(=C4)C(=O)N5CCN(CC5)C

DOS

IR

Vibrations