Geometry & MOs

Info

ID:	256073
PubChem CID:	103136865
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	254.103083
ΔH_f, kcal/mol:	24.87
Dipole, Da:	2.84
IP(EA), eV:	-7.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,2,2-trifluoro-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations