Geometry & MOs

Info

ID:	70631
PubChem CID:	48413620
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	22.62
Dipole, Da:	2.1
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CN3)Br

DOS

IR

Vibrations