Geometry & MOs

Info

ID:	279311
PubChem CID:	103843023
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	244.96517
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	3.14
IP(EA), eV:	-7.86(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-prop-2-ynylaniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)NCC3CCC3

DOS

IR

Vibrations