Geometry & MOs

Info

ID:	154053
PubChem CID:	56313429
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	461.02542
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	4.4
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC1=COC2=C1C=CC(=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations