Geometry & MOs

Info

ID:	436300
PubChem CID:	135198467
Reduced:	ClFO5N7H33C35 (1)
Stoich.:	ABC5D7E33F35 (1)
Weight, g/mol:	215.111028
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	7.2
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(4-fluorophenyl)aniline

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)NC(=O)NCC3=NOC=C3)CC(=O)N4CCCCC[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl

DOS

IR

Vibrations