Geometry & MOs

Info

ID:	55461
PubChem CID:	17395423
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	3.91
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations