Geometry & MOs

Info

ID:	256247
PubChem CID:	103137941
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	66.68
Dipole, Da:	3.6
IP(EA), eV:	-8.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)amino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations