Geometry & MOs

Info

ID:	256221
PubChem CID:	103137834
Reduced:	FN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	20.36
Dipole, Da:	2.67
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)-(2-methylpropyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)N)F

DOS

IR

Vibrations