Geometry & MOs

Info

ID:	298138
PubChem CID:	117647692
Reduced:	F2N11C35H41 (1)
Stoich.:	A2B11C35D41 (1)
Weight, g/mol:	318.0593
ΔH_f, kcal/mol:	121.65
Dipole, Da:	5.04
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-iodo-5-[2-(methylamino)ethyl]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(=NCCC1=CC(=CC(=C1)C#CC2=CC(=C(C=C2F)F)C#CC3=CC(=CC(=C3)CCN=C(N)N)CCN=C(N)N)CCN=C(N)N)N

DOS

IR

Vibrations