Geometry & MOs

Info

ID:	80901
PubChem CID:	49847012
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	373.143568
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	6.3
IP(EA), eV:	-8.88(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-3,3-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]butyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCCCCCNC(=O)CC1=C(C=CC(=C1)O)O

DOS

IR

Vibrations