Geometry & MOs

Info

ID:	401233
PubChem CID:	135050658
Reduced:	BrLiOC11H22 (1)
Stoich.:	ABCD11E22 (1)
Weight, g/mol:	245.16384
ΔH_f, kcal/mol:	-106.62
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[(1S)-1-deuterio-3,4-dihydro-1H-isoquinolin-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

[Li+].C(CCCCC[O-])CCCCCBr

DOS

IR

Vibrations