Geometry & MOs

Info

ID:	247179
PubChem CID:	103068505
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	70.88
Dipole, Da:	2.68
IP(EA), eV:	-8.56(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enylsulfanyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SCC(=C)CNC3CC3

DOS

IR

Vibrations