Geometry & MOs

Info

ID:	70637
PubChem CID:	48413637
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	2.69
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NC(C3=NC(=NO3)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations