Geometry & MOs

Info

ID:	158267
PubChem CID:	56463256
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	451.11067
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	6.1
IP(EA), eV:	-9.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-5-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations