Geometry & MOs

Info

ID:	256937
PubChem CID:	103142519
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	2.4
IP(EA), eV:	-8.7(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-(5-nitroisoquinolin-8-yl)amino]ethanol

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=CC=CC3=C2CNCC3)C

DOS

IR

Vibrations