Geometry & MOs

Info

ID:	195545
PubChem CID:	78698754
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	3.79
IP(EA), eV:	-8.18(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3O

DOS

IR

Vibrations