Geometry & MOs

Info

ID:	296246
PubChem CID:	117562650
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	3.11
IP(EA), eV:	-9.32(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCC(CC1)CO

DOS

IR

Vibrations