Geometry & MOs

Info

ID:	317219
PubChem CID:	126633862
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	449.128644
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	2.55
IP(EA), eV:	-9.3(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoyl]-2,2-dimethylpropanehydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations