Geometry & MOs

Info

ID:	275095
PubChem CID:	103813768
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	23.2
Dipole, Da:	4.66
IP(EA), eV:	-9.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C(C2=CC=CC=C2)N

DOS

IR

Vibrations