Geometry & MOs

Info

ID:	387526
PubChem CID:	134985716
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	290.0266
ΔH_f, kcal/mol:	28.48
Dipole, Da:	4.49
IP(EA), eV:	-9.08(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[(1R,5R)-5-bromo-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ylidene]nitramide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=N\N=O)/C(C)(C)C

DOS

IR

Vibrations