Geometry & MOs

Info

ID:	154702
PubChem CID:	56314207
Reduced:	BrO2N7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	453.03242
ΔH_f, kcal/mol:	51.44
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations