Geometry & MOs

Info

ID:	30508
PubChem CID:	841431
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	233.073517
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	7.37
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=S)NC2CCCC2

DOS

IR

Vibrations