Geometry & MOs

Info

ID:	422263
PubChem CID:	135117527
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	2.44
IP(EA), eV:	-8.14(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)CN2CCN(CC2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations