Geometry & MOs

Info

ID:	322014
PubChem CID:	126668272
Reduced:	O5H21C31 (2)
Stoich.:	A5B21C31 (2)
Weight, g/mol:	216.082016
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	7.82
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-7-tricyclo[3.3.1.02,4]nonanyl] methanesulfonate

Drug info:

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=C(C5=CC=CC=C5C=C4)C6=C(C=CC7=CC=CC=C76)OC(=O)C8=CC=C(C=C8)C9=CC=C(C=C9)OC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations