Geometry & MOs

Info

ID:	281407
PubChem CID:	103913825
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	258.115047
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	4.82
IP(EA), eV:	-8.17(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(C)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations