Geometry & MOs

Info

ID:	162541
PubChem CID:	57394992
Reduced:	ClON3C28H28 (1)
Stoich.:	ABC3D28E28 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	2.81
Dipole, Da:	4.31
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CC2(CCN(CC2)CC3=CC4=C(C=C3)NC5=C4C=C(C=C5)Cl)C6=CC=CC=C16

DOS

IR

Vibrations