Geometry & MOs

Info

ID:	256407
PubChem CID:	103139058
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	3.85
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)amino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations