Geometry & MOs

Info

ID:	83026
PubChem CID:	49857030
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	3.09
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCCCC3

DOS

IR

Vibrations