Geometry & MOs

Info

ID:	272685
PubChem CID:	103751623
Reduced:	FN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	6.94
IP(EA), eV:	-10.12(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1-phenylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])F)CO

DOS

IR

Vibrations