Geometry & MOs

Info

ID:	154394
PubChem CID:	56313819
Reduced:	BrN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	475.06439
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	4.96
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,3-dimethylquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations