Geometry & MOs

Info

ID:	424368
PubChem CID:	135122417
Reduced:	N4O5C26H34 (1)
Stoich.:	A4B5C26D34 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-189.41
Dipole, Da:	9.21
IP(EA), eV:	-9.34(-1.34)
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)propyl 3-(dimethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations