Geometry & MOs

Info

ID:	337445
PubChem CID:	127257130
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	447.02523
ΔH_f, kcal/mol:	-34.56
Dipole, Da:	2.87
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]-1-phenylethanethione

Drug info:

PubChemData

Smile

CN(C)CCOCCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations