Geometry & MOs

Info

ID:	205911
PubChem CID:	80175957
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	4.45
IP(EA), eV:	-8.41(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-cyclopentylpropan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCC2=C(C1)C=C(C=C2)N

DOS

IR

Vibrations