Geometry & MOs

Info

ID:	270984
PubChem CID:	103639092
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	347.01571
ΔH_f, kcal/mol:	-1.39
Dipole, Da:	1.73
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations