Geometry & MOs

Info

ID:	430205
PubChem CID:	135170268
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	347.99972
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	6.24
IP(EA), eV:	-9.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-4-(4-bromo-2-methoxyphenyl)-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)N1CCC(CC1)N2C=NN=N2

DOS

IR

Vibrations