Geometry & MOs

Info

ID:	256123
PubChem CID:	103137228
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	2.03
IP(EA), eV:	-7.96(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=C(C=C2)N3CCC(CC3)N

DOS

IR

Vibrations