Geometry & MOs

Info

ID:	154910
PubChem CID:	56314459
Reduced:	BrO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	475.06439
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	3.73
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br

DOS

IR

Vibrations