Geometry & MOs

Info

ID:	276928
PubChem CID:	103825834
Reduced:	FON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	354.03792
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	4.64
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-6-fluoropyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=CN=C(C=C2)F

DOS

IR

Vibrations