Geometry & MOs

Info

ID:	127643
PubChem CID:	51009852
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	202.112443
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	13.61
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,5R)-3-(chloromethoxy)-2,6,6-trimethylbicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C(=O)[O-])C=C4

DOS

IR

Vibrations