Geometry & MOs

Info

ID:	282017
PubChem CID:	103914668
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	2.58
IP(EA), eV:	-9.1(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NC=CN1C)NC[C@@H](C)O

DOS

IR

Vibrations