Geometry & MOs

Info

ID:	256888
PubChem CID:	103142155
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	244.118733
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	3.75
IP(EA), eV:	-9.29(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOC2C3CC3)N

DOS

IR

Vibrations