Geometry & MOs

Info

ID:	241899
PubChem CID:	96024532
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	39.66
Dipole, Da:	4.64
IP(EA), eV:	-8.93(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CN=CN3C)C=C1)C

DOS

IR

Vibrations