Geometry & MOs

Info

ID:	256238
PubChem CID:	103137886
Reduced:	N2F3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-110.78
Dipole, Da:	3.16
IP(EA), eV:	-9.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-aminoisoquinolin-8-yl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C(F)(F)F)N

DOS

IR

Vibrations