Geometry & MOs

Info

ID:	153354
PubChem CID:	56312540
Reduced:	BrO3N4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	486.12665
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	1.64
IP(EA), eV:	-9.3(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C

DOS

IR

Vibrations