Geometry & MOs

Info

ID:	154276
PubChem CID:	56313686
Reduced:	BrO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	431.08445
ΔH_f, kcal/mol:	44.99
Dipole, Da:	4.01
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[(2-cyclohexyloxyacetyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations