Geometry & MOs

Info

ID:	424379
PubChem CID:	135122475
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	459.192484
ΔH_f, kcal/mol:	5.83
Dipole, Da:	3.48
IP(EA), eV:	-8.79(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations