Geometry & MOs

Info

ID:	126688
PubChem CID:	50973228
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	4.22
IP(EA), eV:	-8.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]propyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1OCC)C(=O)CC2CCCCN2C

DOS

IR

Vibrations