Geometry & MOs

Info

ID:	290056
PubChem CID:	104405025
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-0.52
Dipole, Da:	3.26
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-aminoisoquinolin-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=C(C3=C(C=C2)SC=N3)N

DOS

IR

Vibrations