Geometry & MOs

Info

ID:	81061
PubChem CID:	49854302
Reduced:	O3N6H22C24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	439.06439
ΔH_f, kcal/mol:	68.17
Dipole, Da:	4.06
IP(EA), eV:	-8.76(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(O3)NCC4=C(ON=C4C5=CC=CC=C5)C)OC

DOS

IR

Vibrations