Geometry & MOs

Info

ID:	292107
PubChem CID:	114451966
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	297.048733
ΔH_f, kcal/mol:	-201.57
Dipole, Da:	2.34
IP(EA), eV:	-9.55(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2CN(CCC2O)C(=O)OC(C)(C)C

DOS

IR

Vibrations