Geometry & MOs

Info

ID:	126533
PubChem CID:	50967272
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	3.95
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CCC(C1=CC=NC=C1)NC2=NC(=NC3=C2CCN(CC3)C(=O)C)C

DOS

IR

Vibrations