Geometry & MOs

Info

ID:	379700
PubChem CID:	134459617
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	4.14
IP(EA), eV:	-8.2(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-3,8-dioxatricyclo[4.4.0.02,4]decane

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=C(C=C(C=C2)Br)N)O

DOS

IR

Vibrations