Geometry & MOs

Info

ID:	256229
PubChem CID:	103137869
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	267.117176
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	6.5
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-fluoro-2-methylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations