Geometry & MOs

Info

ID:	343171
PubChem CID:	127266344
Reduced:	ON8C16H18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	340.125944
ΔH_f, kcal/mol:	113.91
Dipole, Da:	2.63
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CC2)NC(=O)NC3=CC=CC(=C3)CC4=NNN=N4

DOS

IR

Vibrations