Geometry & MOs

Info

ID:	154904
PubChem CID:	56314453
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	480.0797
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	6.33
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[(4-morpholin-4-ylbenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations