Geometry & MOs

Info

ID:	205821
PubChem CID:	80162716
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	219.117176
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	2.37
IP(EA), eV:	-8.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethylimidazol-1-yl)methyl]-2-fluoroaniline

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations