Geometry & MOs

Info

ID:	123330
PubChem CID:	50842632
Reduced:	O3N6C25H28 (1)
Stoich.:	A3B6C25D28 (1)
Weight, g/mol:	435.154269
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	0.97
IP(EA), eV:	-8.42(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC3=C(C=C2)N(C(=O)N3CC(=O)N4CCN(CC4)C5=CC=CC=C5)C(C)C

DOS

IR

Vibrations