Geometry & MOs

Info

ID:	256109
PubChem CID:	103137116
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	287.062553
ΔH_f, kcal/mol:	22.56
Dipole, Da:	4.18
IP(EA), eV:	-8.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-chloro-2-fluorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C3C=NC=CC3=C(C=C2)N)F

DOS

IR

Vibrations