Geometry & MOs

Info

ID:	272705
PubChem CID:	103752254
Reduced:	BrFO2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	3.08
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[cyclopropyl(phenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations