Geometry & MOs

Info

ID:	256850
PubChem CID:	103141854
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-172.64
Dipole, Da:	3.5
IP(EA), eV:	-9.49(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpiperazin-1-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCC1C(=O)NC(C(=O)N1CC2CCC(O2)C)C(C)CC

DOS

IR

Vibrations