Geometry & MOs

Info

ID:	272127
PubChem CID:	103725920
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	2.3
IP(EA), eV:	-9.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CNC(=O)C=C2

DOS

IR

Vibrations