Geometry & MOs

Info

ID:	256834
PubChem CID:	103141729
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-164.92
Dipole, Da:	2.15
IP(EA), eV:	-9.53(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-methylsulfanylpropyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(C(=O)N1CC2CCC(O2)C)C)C

DOS

IR

Vibrations