Geometry & MOs

Info

ID:	238982
PubChem CID:	93165811
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.06
IP(EA), eV:	-9.01(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@H]1C2=C(CCN1C(=O)C)C=C(C=C2)C

DOS

IR

Vibrations