Geometry & MOs

Info

ID:	256335
PubChem CID:	103138537
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	16.15
Dipole, Da:	2.84
IP(EA), eV:	-7.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)amino]-1-methylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations