Geometry & MOs

Info

ID:	256237
PubChem CID:	103137885
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	226.071783
ΔH_f, kcal/mol:	11.12
Dipole, Da:	3.01
IP(EA), eV:	-7.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations