Geometry & MOs

Info

ID:	28747
PubChem CID:	829336
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	332.055481
ΔH_f, kcal/mol:	38.61
Dipole, Da:	7.54
IP(EA), eV:	-8.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations