Geometry & MOs

Info

ID:	201483
PubChem CID:	79542679
Reduced:	SN4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	236.138559
ΔH_f, kcal/mol:	62.09
Dipole, Da:	4.89
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2CC3=CC=CC=C3S2)N

DOS

IR

Vibrations