Geometry & MOs

Info

ID:	327702
PubChem CID:	126690780
Reduced:	FCl2N2H3C5 (1)
Stoich.:	AB2C2D3E5 (1)
Weight, g/mol:	412.252606
ΔH_f, kcal/mol:	0.83
Dipole, Da:	2.23
IP(EA), eV:	-10.31(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)ethyl-[(1S,9R,13S)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]amino]ethanol

Drug info:

PubChemData

Smile

C1C(=C(C=NC(=N1)Cl)F)Cl

DOS

IR

Vibrations