Geometry & MOs

Info

ID:	154604
PubChem CID:	56314075
Reduced:	BrO2N6H17C22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	426.03275
ΔH_f, kcal/mol:	59.06
Dipole, Da:	6.61
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations