Geometry & MOs

Info

ID:	423664
PubChem CID:	135119959
Reduced:	N3O3C15H20 (2)
Stoich.:	A3B3C15D20 (2)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-228.44
Dipole, Da:	9.21
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CN=CC=C3)C=C2)C

DOS

IR

Vibrations