Geometry & MOs

Info

ID:	154500
PubChem CID:	56313953
Reduced:	BrO3N4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	455.0593
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	8.09
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations