Geometry & MOs

Info

ID:	336305
PubChem CID:	127255312
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	25.57
Dipole, Da:	7.32
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations