Geometry & MOs

Info

ID:	205644
PubChem CID:	80131670
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	326.02302
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	4.41
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorophenyl)-2-pyridin-4-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=CN(N=N2)C3CCNCC3

DOS

IR

Vibrations