Geometry & MOs

Info

ID:	55458
PubChem CID:	17395420
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	4.69
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations