Geometry & MOs

Info

ID:	342723
PubChem CID:	127265883
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	332.105545
ΔH_f, kcal/mol:	36.61
Dipole, Da:	3.93
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-amine

Drug info:

PubChemData

Smile

C1CC1C2=NOC=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

DOS

IR

Vibrations