Geometry & MOs

Info

ID:	199168
PubChem CID:	79209220
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	257.131031
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	6.69
IP(EA), eV:	-10.08(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)NC1CC(C=C1)C(=O)O

DOS

IR

Vibrations