Geometry & MOs

Info

ID:	71104
PubChem CID:	48414292
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-138.5
Dipole, Da:	4.24
IP(EA), eV:	-8.73(-1.23)
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]-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CCCN(CC)CC)NC1=O

DOS

IR

Vibrations