Geometry & MOs

Info

ID:	322033
PubChem CID:	126668344
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	377.04267
ΔH_f, kcal/mol:	53.79
Dipole, Da:	4.06
IP(EA), eV:	-8.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[1-(4-bromo-2-fluorophenyl)ethylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CNCCCC1=CC(=CC=C1)NC2=NN3C(=N2)C=CC=C3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations