Geometry & MOs

Info

ID:	156379
PubChem CID:	56370347
Reduced:	BrON2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	2.56
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations