Geometry & MOs

Info

ID:	319799
PubChem CID:	126657324
Reduced:	NOC7H14 (2)
Stoich.:	ABC7D14 (2)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	1.57
IP(EA), eV:	-9.87(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CCCCCCC(CC)[C@@H](C)C(=O)NCC(=O)N

DOS

IR

Vibrations