Geometry & MOs

Info

ID:	256777
PubChem CID:	103141341
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-92.22
Dipole, Da:	2.26
IP(EA), eV:	-8.1(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(5-nitroisoquinolin-8-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCCC1CNC(CN1CC2CCC(O2)C)C(C)(C)C

DOS

IR

Vibrations