Geometry & MOs

Info

ID:	127831
PubChem CID:	51018786
Reduced:	NO2C25H25 (1)
Stoich.:	AB2C25D25 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	4.39
IP(EA), eV:	-8.4(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,6S,7R)-1,10,10-trimethyl-4-[(E)-prop-1-enyl]-3,5-dioxatricyclo[5.2.1.02,6]decane

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H]2C[C@H]3[C@@H]4C=CC=C[C@H]4[C@@H]2C5=CC=CC=C35

DOS

IR

Vibrations