Geometry & MOs

Info

ID:	21645
PubChem CID:	589401
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	5.75
IP(EA), eV:	-9.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

Drug info:

PubChemData

Smile

CCC1(C2(C3=CC=CC=C3CCN2C(=O)O1)C)C

DOS

IR

Vibrations