Geometry & MOs

Info

ID:	434359
PubChem CID:	135174776
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	518.07203
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	4.48
IP(EA), eV:	-8.83(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-[(pyrrolidin-3-ylmethylamino)methyl]phenoxy]methyl]-3H-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC(C)NC1CC(C1)OC2=CC=CC(=C2)CCC(C)(C)C=O

DOS

IR

Vibrations