Geometry & MOs

Info

ID:	171749
PubChem CID:	75422802
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	4.49
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-methyl-2-oxo-N'-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]-1-azaspiro[4.4]non-3-ene-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)CNC(=O)C2=CC(=CN2C)Br

DOS

IR

Vibrations