Geometry & MOs

Info

ID:	37463
PubChem CID:	8021376
Reduced:	BrNF2O3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	361.088099
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	4.84
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations