Geometry & MOs

Info

ID:	304534
PubChem CID:	124756203
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	2.57
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,5S,8S,9R)-4-(1,3-benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2CCCCN2C(=O)CCCOCC3=CC=CC=C3

DOS

IR

Vibrations