Geometry & MOs

Info

ID:	127773
PubChem CID:	51014537
Reduced:	ON2C16H23 (2)
Stoich.:	AB2C16D23 (2)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	6.32
IP(EA), eV:	-8.36(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3S,6R,7R,8S,9S)-11,12-dioxatetracyclo[7.2.1.13,6.02,7]tridecan-8-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1CN([C@@H]2C[C@@H](C[C@]1(C2)C3=CC(=CC=C3)O)NC(=O)CCN4CCN(CC4)C)CCCC5=CC=CC=C5

DOS

IR

Vibrations