Geometry & MOs

Info

ID:	387861
PubChem CID:	134987171
Reduced:	N5H7C10 (1)
Stoich.:	A5B7C10 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	145.32
Dipole, Da:	2.49
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=CC(=N2)N=[N+]=[N-]

DOS

IR

Vibrations