Geometry & MOs

Info

ID:	424498
PubChem CID:	135122914
Reduced:	F2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	430.22162
ΔH_f, kcal/mol:	-278.16
Dipole, Da:	6.98
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC(=C(C=C1)C)COCC2=CC=C(C=C2)OC)O)(F)F

DOS

IR

Vibrations