Geometry & MOs

Info

ID:	140301
PubChem CID:	52679042
Reduced:	ClFN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	11.62
Dipole, Da:	3.24
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-fluorophenyl)-N-methyl-N-[2-(4-nitrophenyl)ethyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)N(C)CC2=C3C(=C(C=C2)Cl)C=CC=N3

DOS

IR

Vibrations