Geometry & MOs

Info

ID:	256762
PubChem CID:	103141200
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	101.77
Dipole, Da:	4.08
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(C3=NN(C=C3)C)NN

DOS

IR

Vibrations