Geometry & MOs

Info

ID:	256183
PubChem CID:	103137591
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	87.63
Dipole, Da:	2.43
IP(EA), eV:	-7.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)amino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations