Geometry & MOs

Info

ID:

335757

PubChem CID:

127254619

Reduced:

ON8C21H30 (1)

Stoich.:

AB8C21D30 (1)

Weight, g/mol:

655.318827

ΔHf, kcal/mol:

61.64

Dipole, Da:

10.5

IP(EA), eV:

 -9.52(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1(CCCCC1)CC2=NN=C3N2C=CC=C3)N4C=NN=N4

DOS

IR

Vibrations