Geometry & MOs

Info

ID:	154911
PubChem CID:	56314460
Reduced:	BrO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	480.09094
ΔH_f, kcal/mol:	52.1
Dipole, Da:	3.5
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations