Geometry & MOs

Info

ID:	275909
PubChem CID:	103819037
Reduced:	N2F3H11C16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrazol-4-yl)methyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)NCC3=CC(=C(C=C3F)F)F

DOS

IR

Vibrations