Geometry & MOs

Info

ID:	169404
PubChem CID:	75101390
Reduced:	ClOF2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	546.356991
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	1.71
IP(EA), eV:	-9.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(3-phenylprop-2-enyl)-4-[(1-propylpiperidin-4-yl)amino]pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1CC(CN1CC2=CC(=CC=C2)Cl)NCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations