Geometry & MOs

Info

ID:	274348
PubChem CID:	103808725
Reduced:	FON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	7.58
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoropyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)NC1=CN=C(C=C1)F)N

DOS

IR

Vibrations