Geometry & MOs

Info

ID:	27032
PubChem CID:	812983
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	325.038482
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	2.55
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCCC(=O)O

DOS

IR

Vibrations