Geometry & MOs

Info

ID:	256878
PubChem CID:	103142066
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	3.63
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N'-(5-nitroisoquinolin-8-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C3=CC=CC=C3C(=O)NC(C2=O)C

DOS

IR

Vibrations