Geometry & MOs

Info

ID:	153850
PubChem CID:	56313175
Reduced:	BrO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	410.03784
ΔH_f, kcal/mol:	22.14
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C4=NC=CC=N4

DOS

IR

Vibrations