Geometry & MOs

Info

ID:	241783
PubChem CID:	96024257
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	3.71
IP(EA), eV:	-8.88(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclobutan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CNC(=O)C

DOS

IR

Vibrations