Geometry & MOs

Info

ID:	224310
PubChem CID:	85341271
Reduced:	OC6H10 (3)
Stoich.:	AB6C10 (3)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	3.82
IP(EA), eV:	-10.05(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-methyl-1-(1-phenylethyl)-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole

Drug info:

PubChemData

Smile

CC(C)C1CCC23C1(CC(C2(C(CC3)O)C)OC(=O)C)C

DOS

IR

Vibrations