Geometry & MOs

Info

ID:	404757
PubChem CID:	135070525
Reduced:	OC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	2.67
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine

Drug info:

PubChemData

Smile

CCCCCC(C)(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations