Geometry & MOs

Info

ID:	241784
PubChem CID:	96024258
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	2.25
IP(EA), eV:	-8.87(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3CC(=O)C3)C=C1)C

DOS

IR

Vibrations