Geometry & MOs

Info

ID:	420259
PubChem CID:	135112111
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	5.18
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NCC4=CN5CCSC5=N4

DOS

IR

Vibrations