Geometry & MOs

Info

ID:	122928
PubChem CID:	50826778
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-26.79
Dipole, Da:	6.36
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[(4-chlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)C2=NC(=NO2)CCN(C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations