Geometry & MOs

Info

ID:	154914
PubChem CID:	56314463
Reduced:	BrO2N6H15C20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	423.05824
ΔH_f, kcal/mol:	68.62
Dipole, Da:	5.73
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,5-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations