Geometry & MOs

Info

ID:	220975
PubChem CID:	85248064
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	0.65
IP(EA), eV:	-8.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-3,5,10,10a-tetrahydro-2H-[1,3]oxazolo[3,2-b]isoquinoline

Drug info:

PubChemData

Smile

CCCCCON=CC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations