Geometry & MOs

Info

ID:	154395
PubChem CID:	56313820
Reduced:	BrO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	496.07462
ΔH_f, kcal/mol:	33.63
Dipole, Da:	5.43
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br)C

DOS

IR

Vibrations