Geometry & MOs

Info

ID:	344040
PubChem CID:	127267216
Reduced:	OF4N5H11C12 (1)
Stoich.:	AB4C5D11E12 (1)
Weight, g/mol:	315.094309
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	6.23
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-3-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)N2C=C(N=N2)NC(=O)NCCF

DOS

IR

Vibrations