Geometry & MOs

Info

ID:	152564
PubChem CID:	56311521
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	8.64
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations