Geometry & MOs

Info

ID:	255509
PubChem CID:	103132591
Reduced:	NO2F3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	270.209599
ΔH_f, kcal/mol:	-237.55
Dipole, Da:	4.28
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-isoquinolin-8-yl-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)N)C(F)(F)F

DOS

IR

Vibrations