Geometry & MOs

Info

ID:	256802
PubChem CID:	103141496
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	41.36
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrrolidin-3-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCC(C)CC(C1=CC=CC2=C1C=NC=C2)NN

DOS

IR

Vibrations