Geometry & MOs

Info

ID:	242011
PubChem CID:	96025072
Reduced:	NSC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	28.07
Dipole, Da:	1.38
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3=CC=CS3)C=C1)C

DOS

IR

Vibrations