Geometry & MOs

Info

ID:	256421
PubChem CID:	103139160
Reduced:	NOF3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	2.72
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-cyclopropylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=C(C=C3F)F)F)O

DOS

IR

Vibrations