Geometry & MOs

Info

ID:	221368
PubChem CID:	85272318
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	6.77
IP(EA), eV:	-8.51(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-ethyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=C2CCC3N2C(=C1)CCC3

DOS

IR

Vibrations