Geometry & MOs

Info

ID:	289007
PubChem CID:	104330831
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-43.58
Dipole, Da:	4.49
IP(EA), eV:	-8.39(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylamino)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCNC1=CC(=C(C=C1)C(=O)NCCSC)C

DOS

IR

Vibrations