Geometry & MOs

Info

ID:	145373
PubChem CID:	53512608
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-47.09
Dipole, Da:	4.14
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CC(=O)NCC2=C(N=CC=C2)OCC

DOS

IR

Vibrations