Geometry & MOs

Info

ID:	255503
PubChem CID:	103132535
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-238.12
Dipole, Da:	5.06
IP(EA), eV:	-9.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-2-methyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations