Geometry & MOs

Info

ID:	256443
PubChem CID:	103139234
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	32.35
Dipole, Da:	3.84
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)amino]butanamide

Drug info:

PubChemData

Smile

CCCNCCC1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations