Geometry & MOs

Info

ID:	82933
PubChem CID:	49856840
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	3.92
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)CN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations