Geometry & MOs

Info

ID:	220507
PubChem CID:	85197630
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	12.58
Dipole, Da:	2.58
IP(EA), eV:	-8.93(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-7,7-dimethyl-3-phenyl-1,3,3a,4,6,7a-hexahydro-[1,2]oxazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

CC(C(C(C)(C)C#N)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations