Geometry & MOs

Info

ID:	256107
PubChem CID:	103137096
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	1.61
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)C2=C(C=C(C=C2)F)N

DOS

IR

Vibrations