Geometry & MOs

Info

ID:	137675
PubChem CID:	52243633
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	9.06
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations