Geometry & MOs

Info

ID:	424367
PubChem CID:	135122416
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	5.74
IP(EA), eV:	-9.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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

DOS

IR

Vibrations