Geometry & MOs

Info

ID:	256105
PubChem CID:	103137050
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	282.116841
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	3.02
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methoxyphenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)CCC2=CC(=CC=C2)N

DOS

IR

Vibrations